1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol

C11H12F4O — CID 91657147

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4O/c1-10(2,16)6-7-3-8(11(13,14)15)5-9(12)4-7/h3-5,16H,6H2,1-2H3
InChIKeyNLQVNSMFRRWNMU-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.16
Rot. Bonds2

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol

1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol (PubChem CID 91657147) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
PubChem CID91657147
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12F4O/c1-10(2,16)6-7-3-8(11(13,14)15)5-9(12)4-7/h3-5,16H,6H2,1-2H3
InChIKeyNLQVNSMFRRWNMU-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 172768218
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 22950157
4-fluoro-2-[5,5,5-trifluoro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-methylpentan-2-yl]phenol
CID 58959967
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
1-(2-ethyl-2-methylbutyl)-3,5-bis(trifluoromethyl)benzene
CID 134492440
1-(2-azidoethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 151285096
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methylbut-2-ynamide
CID 146101915

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol (CID 91657147) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol?
The InChIKey is NLQVNSMFRRWNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-10(2,16)6-7-3-8(11(13,14)15)5-9(12)4-7/h3-5,16H,6H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol has a molecular weight of 236.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 91657147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).