(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C13H9F4NOS — CID 104737561

IUPAC(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1ccc(SC(F)(F)F)cc1)c1ccncc1F
InChIInChI=1S/C13H9F4NOS/c14-11-7-18-6-5-10(11)12(19)8-1-3-9(4-2-8)20-13(15,16)17/h1-7,12,19H
InChIKeyFKWWAKCSTIYDNH-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.91
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 104737561) has the molecular formula C13H9F4NOS and a molecular weight of 303.28 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID104737561
Molecular FormulaC13H9F4NOS
Molecular Weight303.28 g/mol
Exact Mass303.03
IUPAC Name(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1ccc(SC(F)(F)F)cc1)c1ccncc1F
InChIInChI=1S/C13H9F4NOS/c14-11-7-18-6-5-10(11)12(19)8-1-3-9(4-2-8)20-13(15,16)17/h1-7,12,19H
InChIKeyFKWWAKCSTIYDNH-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 104737561) is (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is OC(c1ccc(SC(F)(F)F)cc1)c1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is FKWWAKCSTIYDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NOS/c14-11-7-18-6-5-10(11)12(19)8-1-3-9(4-2-8)20-13(15,16)17/h1-7,12,19H.
What are the key properties of (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 303.28 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 104737561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).