(1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene

C14H16F2S — CID 10956116

IUPAC(1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene
SMILESFC(F)=C(Sc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H16F2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeySHDKGNHIHYKUOV-UHFFFAOYSA-N
MW254.34 g/mol
LogP5.47
Rot. Bonds3

About (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene

(1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene (PubChem CID 10956116) has the molecular formula C14H16F2S and a molecular weight of 254.34 g/mol. Its IUPAC name is (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene
PubChem CID10956116
Molecular FormulaC14H16F2S
Molecular Weight254.34 g/mol
Exact Mass254.09
IUPAC Name(1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene
SMILESFC(F)=C(Sc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H16F2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeySHDKGNHIHYKUOV-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.34
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13255
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Bis(4-fluorophenyl)sulfane
CID 11229781
4-Fluorobenzyl phenyl sulfide
CID 2737284
Cyclohexylmethyl phenylsulfoxide
CID 12865196
(1-Difluoromethylene-hexylsulfanyl)-benzene
CID 12586997
1-Difluoromethylsulfanyl-4-(4-pentyl-cyclohexyl)-benzene
CID 19436550
p-(Trifluoromethyl)phenyl p-tolyl sulfide
CID 10707001
2-(Trifluoromethylthio)biphenyl
CID 10923065
1-[(Phenylmethyl)thio]-4-(trifluoromethyl)benzene
CID 11414500
1-Fluoro-4-[(phenylmethyl)thio]benzene
CID 12261863

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene?
The IUPAC name of (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene (CID 10956116) is (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene.
What is the SMILES notation for (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene?
The canonical SMILES for (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene is FC(F)=C(Sc1ccccc1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene?
The InChIKey is SHDKGNHIHYKUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2.
What are the key properties of (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene?
(1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene has a molecular weight of 254.34 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,2-difluoroethenyl)sulfanylbenzene is sourced from PubChem (CID 10956116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).