1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol

C13H12F2O2 — CID 62633834

IUPAC1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C13H12F2O2/c1-2-11(16)13-6-5-12(17-13)9-7-8(14)3-4-10(9)15/h3-7,11,16H,2H2,1H3
InChIKeyAQIWXBFORRICNX-UHFFFAOYSA-N
MW238.23 g/mol
LogP3.67
Rot. Bonds3

About 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol

1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol (PubChem CID 62633834) has the molecular formula C13H12F2O2 and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol
PubChem CID62633834
Molecular FormulaC13H12F2O2
Molecular Weight238.23 g/mol
Exact Mass238.08
IUPAC Name1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C13H12F2O2/c1-2-11(16)13-6-5-12(17-13)9-7-8(14)3-4-10(9)15/h3-7,11,16H,2H2,1H3
InChIKeyAQIWXBFORRICNX-UHFFFAOYSA-N
XLogP3.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,4-dimethylphenyl)furan-2-yl]propan-1-ol
CID 62633649
1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol
CID 62633645
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 62633836
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 55097922
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
CID 62633648
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
CID 107627214
1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol
CID 104668330
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanamine
CID 107530721
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine
CID 107626813
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol (CID 62633834) is 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol is CCC(O)c1ccc(-c2cc(F)ccc2F)o1.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol?
The InChIKey is AQIWXBFORRICNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2/c1-2-11(16)13-6-5-12(17-13)9-7-8(14)3-4-10(9)15/h3-7,11,16H,2H2,1H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol?
1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol has a molecular weight of 238.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol is sourced from PubChem (CID 62633834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).