(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene

C8H5BrF4S — CID 12780693

IUPAC(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene
SMILESFC(F)(Br)C(F)(F)Sc1ccccc1
InChIInChI=1S/C8H5BrF4S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H
InChIKeyACKRNLPIVVTRML-UHFFFAOYSA-N
MW289.09 g/mol
LogP4.36
Rot. Bonds3

About (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene

(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene (PubChem CID 12780693) has the molecular formula C8H5BrF4S and a molecular weight of 289.09 g/mol. Its IUPAC name is (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene
PubChem CID12780693
Molecular FormulaC8H5BrF4S
Molecular Weight289.09 g/mol
Exact Mass287.92
IUPAC Name(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene
SMILESFC(F)(Br)C(F)(F)Sc1ccccc1
InChIInChI=1S/C8H5BrF4S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H
InChIKeyACKRNLPIVVTRML-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanyl-4-methylbenzene
CID 12780692
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
1,1,2,2-tetrafluoro-2-phenylsulfanyl-N-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)sulfonylethanesulfonamide
CID 87462835
1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)benzene
CID 156635411
1,1,1-trifluoro-3,3,3-tris(phenylsulfanyl)propan-2-one
CID 71347290
(1,1-difluoro-2-isocyanoethyl)sulfanylbenzene
CID 46220664
(3-bromo-3,3-difluoroprop-1-en-2-yl)sulfanylbenzene
CID 10730369
[1,2-bis(methylsulfanyl)-1,2,2-tris(phenylsulfanyl)ethyl]sulfanylbenzene
CID 22765410
(1,1-difluoro-2-phenylbut-3-enyl)sulfanylbenzene
CID 102528016
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
diphenyl(phenylsulfanyl)methanamine
CID 151851017
1,1,1,3,3,3-hexafluoropropan-2-ylsulfanylbenzene
CID 12567444

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene?
The IUPAC name of (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene (CID 12780693) is (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene.
What is the SMILES notation for (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene?
The canonical SMILES for (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene is FC(F)(Br)C(F)(F)Sc1ccccc1.
What is the InChIKey of (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene?
The InChIKey is ACKRNLPIVVTRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H.
What are the key properties of (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene?
(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene has a molecular weight of 289.09 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene is sourced from PubChem (CID 12780693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).