1-(2-fluorophenyl)-2-methylbutane-1,2-diol

C11H15FO2 — CID 103448745

IUPAC1-(2-fluorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccccc1F
InChIInChI=1S/C11H15FO2/c1-3-11(2,14)10(13)8-6-4-5-7-9(8)12/h4-7,10,13-14H,3H2,1-2H3
InChIKeyBFQVYTJOKRQBQQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.02
Rot. Bonds3

About 1-(2-fluorophenyl)-2-methylbutane-1,2-diol

1-(2-fluorophenyl)-2-methylbutane-1,2-diol (PubChem CID 103448745) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methylbutane-1,2-diol
PubChem CID103448745
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(2-fluorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1ccccc1F
InChIInChI=1S/C11H15FO2/c1-3-11(2,14)10(13)8-6-4-5-7-9(8)12/h4-7,10,13-14H,3H2,1-2H3
InChIKeyBFQVYTJOKRQBQQ-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-2-methylbutane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-2-methylbutane-1,2-diol
CID 103448576
2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
CID 79137948
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
1-(2,3-difluoro-4-methylphenyl)-2-methylbutane-1,2-diol
CID 107513044
2-bromo-1-(2-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550507
1-(2-fluorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 79198458
1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
CID 103448708
2,2-dibromo-2-ethylsulfonyl-1-(2-fluorophenyl)ethanol
CID 102550407
1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
CID 103448709
1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115781710

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(2-fluorophenyl)-2-methylbutane-1,2-diol (CID 103448745) is 1-(2-fluorophenyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methylbutane-1,2-diol?
The InChIKey is BFQVYTJOKRQBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-3-11(2,14)10(13)8-6-4-5-7-9(8)12/h4-7,10,13-14H,3H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methylbutane-1,2-diol?
1-(2-fluorophenyl)-2-methylbutane-1,2-diol has a molecular weight of 198.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).