1-(2,3-difluorophenyl)pentane-1,2-diol

C11H14F2O2 — CID 103454950

IUPAC1-(2,3-difluorophenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-2-4-9(14)11(15)7-5-3-6-8(12)10(7)13/h3,5-6,9,11,14-15H,2,4H2,1H3
InChIKeySJCMSZIJSRKYED-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.16
Rot. Bonds4

About 1-(2,3-difluorophenyl)pentane-1,2-diol

1-(2,3-difluorophenyl)pentane-1,2-diol (PubChem CID 103454950) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)pentane-1,2-diol
PubChem CID103454950
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-(2,3-difluorophenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-2-4-9(14)11(15)7-5-3-6-8(12)10(7)13/h3,5-6,9,11,14-15H,2,4H2,1H3
InChIKeySJCMSZIJSRKYED-UHFFFAOYSA-N
XLogP2.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
CID 171880979
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
CID 171260986
1-(2,3-difluorophenyl)-2-methoxypropan-1-ol
CID 79617746
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1,2-difluoro-3-hept-1-yn-4-ylbenzene
CID 83925513

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)pentane-1,2-diol?
The IUPAC name of 1-(2,3-difluorophenyl)pentane-1,2-diol (CID 103454950) is 1-(2,3-difluorophenyl)pentane-1,2-diol.
What is the SMILES notation for 1-(2,3-difluorophenyl)pentane-1,2-diol?
The canonical SMILES for 1-(2,3-difluorophenyl)pentane-1,2-diol is CCCC(O)C(O)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)pentane-1,2-diol?
The InChIKey is SJCMSZIJSRKYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-2-4-9(14)11(15)7-5-3-6-8(12)10(7)13/h3,5-6,9,11,14-15H,2,4H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)pentane-1,2-diol?
1-(2,3-difluorophenyl)pentane-1,2-diol has a molecular weight of 216.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)pentane-1,2-diol is sourced from PubChem (CID 103454950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).