(1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C15H14F3NO — CID 154713575

IUPAC(1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESO[C@H](CCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-6-4-11(5-7-12)14(20)9-8-13-3-1-2-10-19-13/h1-7,10,14,20H,8-9H2/t14-/m1/s1
InChIKeyKFTHONCRGBJOTP-CQSZACIVSA-N
MW281.28 g/mol
LogP3.77
Rot. Bonds4

About (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

(1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 154713575) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID154713575
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name(1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESO[C@H](CCc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-6-4-11(5-7-12)14(20)9-8-13-3-1-2-10-19-13/h1-7,10,14,20H,8-9H2/t14-/m1/s1
InChIKeyKFTHONCRGBJOTP-CQSZACIVSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 154713575) is (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is O[C@H](CCc1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is KFTHONCRGBJOTP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)12-6-4-11(5-7-12)14(20)9-8-13-3-1-2-10-19-13/h1-7,10,14,20H,8-9H2/t14-/m1/s1.
What are the key properties of (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
(1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 281.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 154713575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).