1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol

C15H14F3NO — CID 59729419

IUPAC1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C15H14F3NO/c1-2-14(20)11-5-8-13(19-9-11)10-3-6-12(7-4-10)15(16,17)18/h3-9,14,20H,2H2,1H3
InChIKeySTTBUDDMMWEIAB-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.21
Rot. Bonds3

About 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol

1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol (PubChem CID 59729419) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol
PubChem CID59729419
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C15H14F3NO/c1-2-14(20)11-5-8-13(19-9-11)10-3-6-12(7-4-10)15(16,17)18/h3-9,14,20H,2H2,1H3
InChIKeySTTBUDDMMWEIAB-UHFFFAOYSA-N
XLogP4.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol?
The IUPAC name of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol (CID 59729419) is 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol is CCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol?
The InChIKey is STTBUDDMMWEIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-14(20)11-5-8-13(19-9-11)10-3-6-12(7-4-10)15(16,17)18/h3-9,14,20H,2H2,1H3.
What are the key properties of 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol?
1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol has a molecular weight of 281.28 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 59729419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).