Chemical Components in the PDB

pdbe.org/chem
spacer

HLT : Summary

Code

HLT

One-letter code

X

Molecule name

2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-bromo-2-chloro-1,1,1-trifluoroethane
OpenEye OEToolkits 1.5.0 (2R)-2-bromo-2-chloro-1,1,1-trifluoro-ethane

Formula

C2 H Br Cl F3

Formal charge

0

Molecular weight

197.382 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 BrC(Cl)C(F)(F)F
SMILES CACTVS 3.341 FC(F)(F)[CH](Cl)Br
SMILES OpenEye OEToolkits 1.5.0 C(C(F)(F)F)(Cl)Br
Canonical SMILES CACTVS 3.341 FC(F)(F)[C@H](Cl)Br
Canonical SMILES OpenEye OEToolkits 1.5.0 [C@@H](C(F)(F)F)(Cl)Br

IUPAC InChI

InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1

IUPAC InChI key

BCQZXOMGPXTTIC-SFOWXEAESA-N
HLT

wwPDB Information

Atom count

8 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-29

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned