3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol

C12H15F3O — CID 62964258

IUPAC3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol
SMILESCCC(C)C(C)(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3O/c1-4-7(2)12(3,16)8-5-6-9(13)11(15)10(8)14/h5-7,16H,4H2,1-3H3
InChIKeyGPACQQUCKIXIQV-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.36
Rot. Bonds3

About 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol

3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol (PubChem CID 62964258) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol
PubChem CID62964258
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol
SMILESCCC(C)C(C)(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3O/c1-4-7(2)12(3,16)8-5-6-9(13)11(15)10(8)14/h5-7,16H,4H2,1-3H3
InChIKeyGPACQQUCKIXIQV-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 65146702
3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64984866
2,3-dimethyl-2-(2,3,4-trifluorophenyl)butanoyl chloride
CID 117048038
3-methyl-2-phenylpentan-2-ol
CID 13024634
N-ethyl-3-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81021760
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
3-amino-1,1,1-trifluoro-2-(2,3,4-trifluorophenyl)propan-2-ol
CID 63081377
1-[ethoxy(difluoro)methyl]-2,3,4-trifluorobenzene
CID 90873680
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol?
The IUPAC name of 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol (CID 62964258) is 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol.
What is the SMILES notation for 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol?
The canonical SMILES for 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol is CCC(C)C(C)(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol?
The InChIKey is GPACQQUCKIXIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-4-7(2)12(3,16)8-5-6-9(13)11(15)10(8)14/h5-7,16H,4H2,1-3H3.
What are the key properties of 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol?
3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol has a molecular weight of 232.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol is sourced from PubChem (CID 62964258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).