1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol

C13H18F2O — CID 62197542

IUPAC1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCc1ccc(F)cc1F
InChIInChI=1S/C13H18F2O/c1-13(2,3)12(16)7-5-9-4-6-10(14)8-11(9)15/h4,6,8,12,16H,5,7H2,1-3H3
InChIKeyRYXJJKYOMFYDET-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.30
Rot. Bonds3

About 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol

1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol (PubChem CID 62197542) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
PubChem CID62197542
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCc1ccc(F)cc1F
InChIInChI=1S/C13H18F2O/c1-13(2,3)12(16)7-5-9-4-6-10(14)8-11(9)15/h4,6,8,12,16H,5,7H2,1-3H3
InChIKeyRYXJJKYOMFYDET-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-ol
CID 103049445
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
4-(2,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 64664987

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol (CID 62197542) is 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)CCc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol?
The InChIKey is RYXJJKYOMFYDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-13(2,3)12(16)7-5-9-4-6-10(14)8-11(9)15/h4,6,8,12,16H,5,7H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol?
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol has a molecular weight of 228.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62197542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).