[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene

C9H6BrF3S — CID 11087266

IUPAC[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
SMILESFC(F)(F)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C9H6BrF3S/c10-8(9(11,12)13)6-14-7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyHGBKIDKLZSOEQK-VURMDHGXSA-N
MW283.11 g/mol
LogP4.58
Rot. Bonds2

About [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene

[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene (PubChem CID 11087266) has the molecular formula C9H6BrF3S and a molecular weight of 283.11 g/mol. Its IUPAC name is [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
PubChem CID11087266
Molecular FormulaC9H6BrF3S
Molecular Weight283.11 g/mol
Exact Mass281.93
IUPAC Name[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
SMILESFC(F)(F)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C9H6BrF3S/c10-8(9(11,12)13)6-14-7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyHGBKIDKLZSOEQK-VURMDHGXSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10683046
[(Z)-2-chloro-3,3-dimethylbut-1-enyl]sulfanylbenzene
CID 125477364
(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11173710
3,3,3-trifluoroprop-1-enylsulfanylbenzene
CID 73014289
trimethyl-[(E)-1-phenyl-3-phenylsulfanyl-2-(trifluoromethyl)prop-2-enoxy]silane
CID 177405439
(Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
CID 134996642
(3-bromo-3,3-difluoroprop-1-en-2-yl)sulfanylbenzene
CID 10730369
[(E)-1-deuterio-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10658256
[(1Z,6Z)-1,6,7-tris(phenylsulfanyl)hepta-1,6-dien-2-yl]sulfanylbenzene
CID 11364539
(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11359552
(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene
CID 12780693
2-nitroprop-1-enylsulfanylbenzene
CID 73110356

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene (CID 11087266) is [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene is FC(F)(F)/C(Br)=C/Sc1ccccc1.
What is the InChIKey of [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The InChIKey is HGBKIDKLZSOEQK-VURMDHGXSA-N. The full InChI is InChI=1S/C9H6BrF3S/c10-8(9(11,12)13)6-14-7-4-2-1-3-5-7/h1-6H/b8-6-.
What are the key properties of [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene has a molecular weight of 283.11 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 11087266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).