1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol

C15H20F4O — CID 107292150

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol
SMILESCC(CC(O)c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H20F4O/c1-9(14(2,3)4)7-13(20)10-5-6-12(16)11(8-10)15(17,18)19/h5-6,8-9,13,20H,7H2,1-4H3
InChIKeyRLGWUUYRIBLPSF-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.95
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol (PubChem CID 107292150) has the molecular formula C15H20F4O and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol
PubChem CID107292150
Molecular FormulaC15H20F4O
Molecular Weight292.32 g/mol
Exact Mass292.15
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol
SMILESCC(CC(O)c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H20F4O/c1-9(14(2,3)4)7-13(20)10-5-6-12(16)11(8-10)15(17,18)19/h5-6,8-9,13,20H,7H2,1-4H3
InChIKeyRLGWUUYRIBLPSF-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3,4,4-trimethylpentan-1-ol
CID 79747122
(1R,3R)-3-amino-4,4,4-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171237779
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-2-ol;hydrochloride
CID 171161307
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 107289983
1-(4-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832253
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 156849313
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol (CID 107292150) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol is CC(CC(O)c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol?
The InChIKey is RLGWUUYRIBLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O/c1-9(14(2,3)4)7-13(20)10-5-6-12(16)11(8-10)15(17,18)19/h5-6,8-9,13,20H,7H2,1-4H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol has a molecular weight of 292.32 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 107292150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).