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

C11H14F2O2 — CID 103448979

IUPAC1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C11H14F2O2/c1-11(2,15)10(14)5-7-3-4-8(12)6-9(7)13/h3-4,6,10,14-15H,5H2,1-2H3
InChIKeyOHTMGHKDWCKPAB-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.64
Rot. Bonds3

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

1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol (PubChem CID 103448979) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
PubChem CID103448979
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C11H14F2O2/c1-11(2,15)10(14)5-7-3-4-8(12)6-9(7)13/h3-4,6,10,14-15H,5H2,1-2H3
InChIKeyOHTMGHKDWCKPAB-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-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212
1-(3,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448967

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol (CID 103448979) is 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol is CC(C)(O)C(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol?
The InChIKey is OHTMGHKDWCKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-11(2,15)10(14)5-7-3-4-8(12)6-9(7)13/h3-4,6,10,14-15H,5H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol?
1-(2,4-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-(2,4-difluorophenyl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 103448979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).