1-[3-(trifluoromethyl)phenyl]octan-2-ol

C15H21F3O — CID 65149077

IUPAC1-[3-(trifluoromethyl)phenyl]octan-2-ol
SMILESCCCCCCC(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3O/c1-2-3-4-5-9-14(19)11-12-7-6-8-13(10-12)15(16,17)18/h6-8,10,14,19H,2-5,9,11H2,1H3
InChIKeyGSYLZQWRXIWPTH-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.58
Rot. Bonds7

About 1-[3-(trifluoromethyl)phenyl]octan-2-ol

1-[3-(trifluoromethyl)phenyl]octan-2-ol (PubChem CID 65149077) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]octan-2-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]octan-2-ol
PubChem CID65149077
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-[3-(trifluoromethyl)phenyl]octan-2-ol
SMILESCCCCCCC(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3O/c1-2-3-4-5-9-14(19)11-12-7-6-8-13(10-12)15(16,17)18/h6-8,10,14,19H,2-5,9,11H2,1H3
InChIKeyGSYLZQWRXIWPTH-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.58
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-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
1-(3-tert-butylphenyl)hexan-2-ol
CID 71163599
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
1,1-diethoxy-2-[[3-(trifluoromethyl)phenyl]methyl]decan-1-ol
CID 150655129
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-[2-(1,1-dimethoxyethyl)decyl]-3-(trifluoromethyl)benzene
CID 151612561
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]octan-2-ol?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]octan-2-ol (CID 65149077) is 1-[3-(trifluoromethyl)phenyl]octan-2-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]octan-2-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]octan-2-ol is CCCCCCC(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]octan-2-ol?
The InChIKey is GSYLZQWRXIWPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-2-3-4-5-9-14(19)11-12-7-6-8-13(10-12)15(16,17)18/h6-8,10,14,19H,2-5,9,11H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]octan-2-ol?
1-[3-(trifluoromethyl)phenyl]octan-2-ol has a molecular weight of 274.33 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]octan-2-ol is sourced from PubChem (CID 65149077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).