1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol

C11H14F2O2 — CID 103448967

IUPAC1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O2/c1-11(2,15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10,14-15H,6H2,1-2H3
InChIKeyOACLSYBBZFOHAD-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.64
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol

1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol (PubChem CID 103448967) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
PubChem CID103448967
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O2/c1-11(2,15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10,14-15H,6H2,1-2H3
InChIKeyOACLSYBBZFOHAD-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457159
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
2-[(3,4-difluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 83139263
1-(3,4-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713006
1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
CID 103456481
1-(3,4-difluorophenyl)-4,6,6-trimethylheptan-2-ol
CID 115829363
4-[2-(bromomethyl)-3,3-dimethylbutyl]-1,2-difluorobenzene
CID 83141390
3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
CID 82919491
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
1-(4-chloro-3-fluorophenyl)-3-ethylpentane-2,3-diol
CID 114012679
3-(3,4-difluorophenyl)-2-hydroxypropanenitrile
CID 141475699
(2R)-1-(1H-indol-6-yl)-3-methylbutane-2,3-diol
CID 162898381

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol (CID 103448967) is 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol is CC(C)(O)C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol?
The InChIKey is OACLSYBBZFOHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-11(2,15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10,14-15H,6H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol?
1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol has a molecular weight of 216.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 103448967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).