[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol

C14H11F3OS — CID 59300672

IUPAC[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol
SMILESOCc1cccc(Sc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)11-4-6-12(7-5-11)19-13-3-1-2-10(8-13)9-18/h1-8,18H,9H2
InChIKeyJWFUPNWSUQOEAR-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.35
Rot. Bonds3

About [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol

[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol (PubChem CID 59300672) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol
PubChem CID59300672
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol
SMILESOCc1cccc(Sc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)11-4-6-12(7-5-11)19-13-3-1-2-10(8-13)9-18/h1-8,18H,9H2
InChIKeyJWFUPNWSUQOEAR-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
The IUPAC name of [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol (CID 59300672) is [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol is OCc1cccc(Sc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
The InChIKey is JWFUPNWSUQOEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-14(16,17)11-4-6-12(7-5-11)19-13-3-1-2-10(8-13)9-18/h1-8,18H,9H2.
What are the key properties of [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol?
[3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol has a molecular weight of 284.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethyl)phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 59300672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).