1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol

C15H22F3NO — CID 102710219

IUPAC1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
SMILESCCCCCCCCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-2-3-4-5-6-7-8-14(20)12-11-19-10-9-13(12)15(16,17)18/h9-11,14,20H,2-8H2,1H3
InChIKeyZOKQSDMQNCSGBI-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.88
Rot. Bonds8

About 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol

1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol (PubChem CID 102710219) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
PubChem CID102710219
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
SMILESCCCCCCCCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-2-3-4-5-6-7-8-14(20)12-11-19-10-9-13(12)15(16,17)18/h9-11,14,20H,2-8H2,1H3
InChIKeyZOKQSDMQNCSGBI-UHFFFAOYSA-N
XLogP4.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.88
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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Related Compounds

1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-bromo-4-pyridinyl)decan-1-ol
CID 151141391
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol?
The IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol (CID 102710219) is 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol is CCCCCCCCC(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol?
The InChIKey is ZOKQSDMQNCSGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-2-3-4-5-6-7-8-14(20)12-11-19-10-9-13(12)15(16,17)18/h9-11,14,20H,2-8H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol?
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol is sourced from PubChem (CID 102710219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).