2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol

C15H21F3O — CID 115792392

IUPAC2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCC(CCC)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3O/c1-3-6-11(7-4-2)14(19)12-8-5-9-13(10-12)15(16,17)18/h5,8-11,14,19H,3-4,6-7H2,1-2H3
InChIKeyKIXJBKJAGJJVOL-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.96
Rot. Bonds6

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

2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 115792392) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID115792392
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCC(CCC)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3O/c1-3-6-11(7-4-2)14(19)12-8-5-9-13(10-12)15(16,17)18/h5,8-11,14,19H,3-4,6-7H2,1-2H3
InChIKeyKIXJBKJAGJJVOL-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860229
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
3-[3-(trifluoromethyl)phenyl]hexanamide
CID 112509132
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 116712081
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 48542193

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (CID 115792392) is 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is CCCC(CCC)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is KIXJBKJAGJJVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-3-6-11(7-4-2)14(19)12-8-5-9-13(10-12)15(16,17)18/h5,8-11,14,19H,3-4,6-7H2,1-2H3.
What are the key properties of 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 274.33 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 115792392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).