1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol

C11H14ClFO2 — CID 103448569

IUPAC1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFO2/c1-3-11(2,15)10(14)8-6-7(13)4-5-9(8)12/h4-6,10,14-15H,3H2,1-2H3
InChIKeyHJAFRCRCRACTLC-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol

1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol (PubChem CID 103448569) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
PubChem CID103448569
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
SMILESCCC(C)(O)C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFO2/c1-3-11(2,15)10(14)8-6-7(13)4-5-9(8)12/h4-6,10,14-15H,3H2,1-2H3
InChIKeyHJAFRCRCRACTLC-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
CID 103448709
1-(2-chlorophenyl)-2-methylbutane-1,2-diol
CID 103448576
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 105397615
1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
CID 103448708
1-(3-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448822
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
1-(2,3-difluoro-4-methylphenyl)-2-methylbutane-1,2-diol
CID 107513044
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol (CID 103448569) is 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol is CCC(C)(O)C(O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol?
The InChIKey is HJAFRCRCRACTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-3-11(2,15)10(14)8-6-7(13)4-5-9(8)12/h4-6,10,14-15H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol?
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol has a molecular weight of 232.68 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).