(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol

C22H25F6NO — CID 162098581

IUPAC(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol
SMILESCCCCCCCC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C22H25F6NO/c1-2-3-4-5-6-7-8-19(30)17-13-14-18(29-20(17)22(26,27)28)15-9-11-16(12-10-15)21(23,24)25/h9-14,19,30H,2-8H2,1H3/t19-/m1/s1
InChIKeyQWTKGGXWOPLBGG-LJQANCHMSA-N
MW433.44 g/mol
LogP7.57
Rot. Bonds9

About (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol

(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol (PubChem CID 162098581) has the molecular formula C22H25F6NO and a molecular weight of 433.44 g/mol. Its IUPAC name is (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol
PubChem CID162098581
Molecular FormulaC22H25F6NO
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Name(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol
SMILESCCCCCCCC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C22H25F6NO/c1-2-3-4-5-6-7-8-19(30)17-13-14-18(29-20(17)22(26,27)28)15-9-11-16(12-10-15)21(23,24)25/h9-14,19,30H,2-8H2,1H3/t19-/m1/s1
InChIKeyQWTKGGXWOPLBGG-LJQANCHMSA-N
XLogP7.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.44
LogP ≤ 57.57
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 (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol?
The IUPAC name of (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol (CID 162098581) is (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol.
What is the SMILES notation for (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol?
The canonical SMILES for (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol is CCCCCCCC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F.
What is the InChIKey of (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol?
The InChIKey is QWTKGGXWOPLBGG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25F6NO/c1-2-3-4-5-6-7-8-19(30)17-13-14-18(29-20(17)22(26,27)28)15-9-11-16(12-10-15)21(23,24)25/h9-14,19,30H,2-8H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol?
(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol has a molecular weight of 433.44 g/mol, XLogP of 7.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol is sourced from PubChem (CID 162098581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).