(2,2-difluoro-1-phenylethenyl)sulfanylbenzene

C14H10F2S — CID 11021243

IUPAC(2,2-difluoro-1-phenylethenyl)sulfanylbenzene
SMILESFC(F)=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H10F2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H
InChIKeyDRGMEUFCMKWHRW-UHFFFAOYSA-N
MW248.30 g/mol
LogP5.04
Rot. Bonds3

About (2,2-difluoro-1-phenylethenyl)sulfanylbenzene

(2,2-difluoro-1-phenylethenyl)sulfanylbenzene (PubChem CID 11021243) has the molecular formula C14H10F2S and a molecular weight of 248.30 g/mol. Its IUPAC name is (2,2-difluoro-1-phenylethenyl)sulfanylbenzene.

Molecular Properties

Compound Name(2,2-difluoro-1-phenylethenyl)sulfanylbenzene
PubChem CID11021243
Molecular FormulaC14H10F2S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name(2,2-difluoro-1-phenylethenyl)sulfanylbenzene
SMILESFC(F)=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H10F2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H
InChIKeyDRGMEUFCMKWHRW-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.30
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl sulfide
CID 10867
p-Tolyl sulfoxide
CID 15680
Benzyl phenyl sulfide
CID 13255
Benzyl phenyl sulfoxide
CID 239581
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Phenyl styryl sulfide
CID 611297
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
Benzyl 2,2,2-trifluoroethyl sulfide
CID 2737790
4-(Trifluoromethylthio)toluene
CID 2777908

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-phenylethenyl)sulfanylbenzene?
The IUPAC name of (2,2-difluoro-1-phenylethenyl)sulfanylbenzene (CID 11021243) is (2,2-difluoro-1-phenylethenyl)sulfanylbenzene.
What is the SMILES notation for (2,2-difluoro-1-phenylethenyl)sulfanylbenzene?
The canonical SMILES for (2,2-difluoro-1-phenylethenyl)sulfanylbenzene is FC(F)=C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-difluoro-1-phenylethenyl)sulfanylbenzene?
The InChIKey is DRGMEUFCMKWHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H.
What are the key properties of (2,2-difluoro-1-phenylethenyl)sulfanylbenzene?
(2,2-difluoro-1-phenylethenyl)sulfanylbenzene has a molecular weight of 248.30 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-phenylethenyl)sulfanylbenzene is sourced from PubChem (CID 11021243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).