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

C13H18F2O — CID 82919789

IUPAC1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2O/c1-4-9(2)13(3,16)8-10-5-6-11(14)12(15)7-10/h5-7,9,16H,4,8H2,1-3H3
InChIKeyJBVOPPOWHVNFFI-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.30
Rot. Bonds4

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

1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol (PubChem CID 82919789) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
PubChem CID82919789
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2O/c1-4-9(2)13(3,16)8-10-5-6-11(14)12(15)7-10/h5-7,9,16H,4,8H2,1-3H3
InChIKeyJBVOPPOWHVNFFI-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 79444953
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 82935066
2-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 82935794
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 65146702
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448967
ethyl 2-(aminomethyl)-2-[(3,4-difluorophenyl)methyl]-3-methylbutanoate
CID 106488610

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol (CID 82919789) is 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol?
The InChIKey is JBVOPPOWHVNFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-4-9(2)13(3,16)8-10-5-6-11(14)12(15)7-10/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol?
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol has a molecular weight of 228.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 82919789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).