1-[2-(trifluoromethyl)phenyl]nonan-1-ol

C16H23F3O — CID 65148219

IUPAC1-[2-(trifluoromethyl)phenyl]nonan-1-ol
SMILESCCCCCCCCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3O/c1-2-3-4-5-6-7-12-15(20)13-10-8-9-11-14(13)16(17,18)19/h8-11,15,20H,2-7,12H2,1H3
InChIKeyPRSIBPLWEANBMC-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.49
Rot. Bonds8

About 1-[2-(trifluoromethyl)phenyl]nonan-1-ol

1-[2-(trifluoromethyl)phenyl]nonan-1-ol (PubChem CID 65148219) has the molecular formula C16H23F3O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]nonan-1-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]nonan-1-ol
PubChem CID65148219
Molecular FormulaC16H23F3O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-[2-(trifluoromethyl)phenyl]nonan-1-ol
SMILESCCCCCCCCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3O/c1-2-3-4-5-6-7-12-15(20)13-10-8-9-11-14(13)16(17,18)19/h8-11,15,20H,2-7,12H2,1H3
InChIKeyPRSIBPLWEANBMC-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455
(1R)-1-phenyloctan-1-ol
CID 12794259
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
2-[2-(trifluoromethyl)phenyl]hexanoyl chloride
CID 58351069

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]nonan-1-ol?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]nonan-1-ol (CID 65148219) is 1-[2-(trifluoromethyl)phenyl]nonan-1-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]nonan-1-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]nonan-1-ol is CCCCCCCCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]nonan-1-ol?
The InChIKey is PRSIBPLWEANBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O/c1-2-3-4-5-6-7-12-15(20)13-10-8-9-11-14(13)16(17,18)19/h8-11,15,20H,2-7,12H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]nonan-1-ol?
1-[2-(trifluoromethyl)phenyl]nonan-1-ol has a molecular weight of 288.35 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]nonan-1-ol is sourced from PubChem (CID 65148219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).