[(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene

C11H10F6S — CID 98041538

IUPAC[(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene
SMILESF[C@H](C(F)(F)F)C(F)(F)CSCc1ccccc1
InChIInChI=1S/C11H10F6S/c12-9(11(15,16)17)10(13,14)7-18-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyWDXYKHYNTRDMSZ-VIFPVBQESA-N
MW288.26 g/mol
LogP4.46
Rot. Bonds5

About [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene

[(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene (PubChem CID 98041538) has the molecular formula C11H10F6S and a molecular weight of 288.26 g/mol. Its IUPAC name is [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene.

Molecular Properties

Compound Name[(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene
PubChem CID98041538
Molecular FormulaC11H10F6S
Molecular Weight288.26 g/mol
Exact Mass288.04
IUPAC Name[(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene
SMILESF[C@H](C(F)(F)F)C(F)(F)CSCc1ccccc1
InChIInChI=1S/C11H10F6S/c12-9(11(15,16)17)10(13,14)7-18-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyWDXYKHYNTRDMSZ-VIFPVBQESA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene
CID 112758308
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
1-benzylsulfanyl-2,3-dimethylbutan-2-ol
CID 114447558
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
3,3,4,4,4-pentafluorobutylsulfanylmethylbenzene
CID 13459532
2-fluoroethylsulfanylmethylbenzene
CID 15639805
3-benzylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 43753405
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
iodomethylsulfanylmethylbenzene
CID 12664832
[3,3,3-trifluoro-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 71651377
4-benzylsulfanyl-1,1,1-trifluorobutan-2-one
CID 22752168
(3-chloro-2,2,3-trifluoropropyl)benzene
CID 134892808

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene?
The IUPAC name of [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene (CID 98041538) is [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene.
What is the SMILES notation for [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene?
The canonical SMILES for [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene is F[C@H](C(F)(F)F)C(F)(F)CSCc1ccccc1.
What is the InChIKey of [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene?
The InChIKey is WDXYKHYNTRDMSZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10F6S/c12-9(11(15,16)17)10(13,14)7-18-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1.
What are the key properties of [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene?
[(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene has a molecular weight of 288.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,2,3,4,4,4-hexafluorobutyl]sulfanylmethylbenzene is sourced from PubChem (CID 98041538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).