1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol

C13H12F2O2 — CID 105099638

IUPAC1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
SMILESOC(CCc1ccco1)c1cccc(F)c1F
InChIInChI=1S/C13H12F2O2/c14-11-5-1-4-10(13(11)15)12(16)7-6-9-3-2-8-17-9/h1-5,8,12,16H,6-7H2
InChIKeyWSAPWNBIYBTENE-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol

1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol (PubChem CID 105099638) has the molecular formula C13H12F2O2 and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
PubChem CID105099638
Molecular FormulaC13H12F2O2
Molecular Weight238.23 g/mol
Exact Mass238.08
IUPAC Name1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
SMILESOC(CCc1ccco1)c1cccc(F)c1F
InChIInChI=1S/C13H12F2O2/c14-11-5-1-4-10(13(11)15)12(16)7-6-9-3-2-8-17-9/h1-5,8,12,16H,6-7H2
InChIKeyWSAPWNBIYBTENE-UHFFFAOYSA-N
XLogP3.22
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105083868
1-(3-fluoro-4-pyridinyl)-3-(furan-2-yl)propan-1-ol
CID 105126839
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
[1-(2,3-difluorophenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331593
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094003
1-(2-cyclobutylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105131741
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
CID 105099608

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol (CID 105099638) is 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol is OC(CCc1ccco1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol?
The InChIKey is WSAPWNBIYBTENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2/c14-11-5-1-4-10(13(11)15)12(16)7-6-9-3-2-8-17-9/h1-5,8,12,16H,6-7H2.
What are the key properties of 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol?
1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol has a molecular weight of 238.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 105099638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).