[2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol

C15H14F3NO — CID 59598309

IUPAC[2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1CCc1ccccc1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)14-9-7-12(10-20)13(19-14)8-6-11-4-2-1-3-5-11/h1-5,7,9,20H,6,8,10H2
InChIKeyXSGYWNFCJKLRKB-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.38
Rot. Bonds4

About [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol

[2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 59598309) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID59598309
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1CCc1ccccc1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)14-9-7-12(10-20)13(19-14)8-6-11-4-2-1-3-5-11/h1-5,7,9,20H,6,8,10H2
InChIKeyXSGYWNFCJKLRKB-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 59598309) is [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol is OCc1ccc(C(F)(F)F)nc1CCc1ccccc1.
What is the InChIKey of [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is XSGYWNFCJKLRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)14-9-7-12(10-20)13(19-14)8-6-11-4-2-1-3-5-11/h1-5,7,9,20H,6,8,10H2.
What are the key properties of [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 281.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 59598309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).