1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene

C10H8F6S — CID 36688629

IUPAC1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene
SMILESCc1ccc(SC(F)(F)[C@@H](F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F6S/c1-6-2-4-7(5-3-6)17-10(15,16)8(11)9(12,13)14/h2-5,8H,1H3/t8-/m0/s1
InChIKeyKKVIWURNVWFMKO-QMMMGPOBSA-N
MW274.23 g/mol
LogP4.58
Rot. Bonds3

About 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene

1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene (PubChem CID 36688629) has the molecular formula C10H8F6S and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene
PubChem CID36688629
Molecular FormulaC10H8F6S
Molecular Weight274.23 g/mol
Exact Mass274.03
IUPAC Name1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene
SMILESCc1ccc(SC(F)(F)[C@@H](F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F6S/c1-6-2-4-7(5-3-6)17-10(15,16)8(11)9(12,13)14/h2-5,8H,1H3/t8-/m0/s1
InChIKeyKKVIWURNVWFMKO-QMMMGPOBSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene?
The IUPAC name of 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene (CID 36688629) is 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene.
What is the SMILES notation for 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene?
The canonical SMILES for 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene is Cc1ccc(SC(F)(F)[C@@H](F)C(F)(F)F)cc1.
What is the InChIKey of 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene?
The InChIKey is KKVIWURNVWFMKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8F6S/c1-6-2-4-7(5-3-6)17-10(15,16)8(11)9(12,13)14/h2-5,8H,1H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene?
1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene has a molecular weight of 274.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene is sourced from PubChem (CID 36688629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).