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

C19H22F3NO — CID 67344061

IUPAC(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol
SMILESCCCCCC[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H22F3NO/c1-2-3-4-5-6-18(24)15-9-12-17(23-13-15)14-7-10-16(11-8-14)19(20,21)22/h7-13,18,24H,2-6H2,1H3/t18-/m0/s1
InChIKeySWBSNJQIDOKNNG-SFHVURJKSA-N
MW337.39 g/mol
LogP5.77
Rot. Bonds7

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

(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol (PubChem CID 67344061) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol.

Molecular Properties

Compound Name(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol
PubChem CID67344061
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol
SMILESCCCCCC[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H22F3NO/c1-2-3-4-5-6-18(24)15-9-12-17(23-13-15)14-7-10-16(11-8-14)19(20,21)22/h7-13,18,24H,2-6H2,1H3/t18-/m0/s1
InChIKeySWBSNJQIDOKNNG-SFHVURJKSA-N
XLogP5.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol?
The IUPAC name of (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol (CID 67344061) is (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol.
What is the SMILES notation for (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol?
The canonical SMILES for (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol is CCCCCC[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol?
The InChIKey is SWBSNJQIDOKNNG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-2-3-4-5-6-18(24)15-9-12-17(23-13-15)14-7-10-16(11-8-14)19(20,21)22/h7-13,18,24H,2-6H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol?
(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol has a molecular weight of 337.39 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol is sourced from PubChem (CID 67344061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).