3-(3,4-difluorophenyl)-2-methylpentan-3-ol

C12H16F2O — CID 62802686

IUPAC3-(3,4-difluorophenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C12H16F2O/c1-4-12(15,8(2)3)9-5-6-10(13)11(14)7-9/h5-8,15H,4H2,1-3H3
InChIKeyPXCDIRDXPQOUMG-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.22
Rot. Bonds3

About 3-(3,4-difluorophenyl)-2-methylpentan-3-ol

3-(3,4-difluorophenyl)-2-methylpentan-3-ol (PubChem CID 62802686) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-methylpentan-3-ol
PubChem CID62802686
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name3-(3,4-difluorophenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C12H16F2O/c1-4-12(15,8(2)3)9-5-6-10(13)11(14)7-9/h5-8,15H,4H2,1-3H3
InChIKeyPXCDIRDXPQOUMG-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141
3-(1H-indol-5-yl)-2-methylpentan-3-ol
CID 81444815
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-methyl-3-(6-methyl-3-pyridinyl)pentan-3-ol
CID 63155846
2-(3,4-difluorophenyl)heptan-2-ol
CID 80557714
2-methyl-3-(4-propoxyphenyl)pentan-3-ol
CID 62796253
3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol
CID 62788142
1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
CID 22993491
2-(3,4-difluorophenyl)-2-methylbutan-1-amine
CID 83637662
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384
methyl 3-(3,4-difluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394404

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-methylpentan-3-ol?
The IUPAC name of 3-(3,4-difluorophenyl)-2-methylpentan-3-ol (CID 62802686) is 3-(3,4-difluorophenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-methylpentan-3-ol?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-methylpentan-3-ol is CCC(O)(c1ccc(F)c(F)c1)C(C)C.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-methylpentan-3-ol?
The InChIKey is PXCDIRDXPQOUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-4-12(15,8(2)3)9-5-6-10(13)11(14)7-9/h5-8,15H,4H2,1-3H3.
What are the key properties of 3-(3,4-difluorophenyl)-2-methylpentan-3-ol?
3-(3,4-difluorophenyl)-2-methylpentan-3-ol has a molecular weight of 214.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 62802686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).