2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol

C10H11F3O — CID 61087293

IUPAC2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
SMILESCC(C)C(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3O/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10,14H,1-2H3
InChIKeyKOOMTZRNLXQWTH-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.79
Rot. Bonds2

About 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol

2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol (PubChem CID 61087293) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
PubChem CID61087293
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
SMILESCC(C)C(O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F3O/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10,14H,1-2H3
InChIKeyKOOMTZRNLXQWTH-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
CID 130597949
1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
CID 76786505
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662
1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
CID 171872119
1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665
(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 65100285
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
1-bromo-2-(1-bromoethyl)-3,5-difluorobenzene
CID 156856263
(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 103303216
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol?
The IUPAC name of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol (CID 61087293) is 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol is CC(C)C(O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol?
The InChIKey is KOOMTZRNLXQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,10,14H,1-2H3.
What are the key properties of 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol?
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol has a molecular weight of 204.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 61087293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).