1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one

C14H12F2O2 — CID 105124464

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
SMILESCc1ccc(F)c(C(=O)CCc2ccco2)c1F
InChIInChI=1S/C14H12F2O2/c1-9-4-6-11(15)13(14(9)16)12(17)7-5-10-3-2-8-18-10/h2-4,6,8H,5,7H2,1H3
InChIKeyLCCRQMMNSHJRQX-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.68
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one

1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 105124464) has the molecular formula C14H12F2O2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
PubChem CID105124464
Molecular FormulaC14H12F2O2
Molecular Weight250.24 g/mol
Exact Mass250.08
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
SMILESCc1ccc(F)c(C(=O)CCc2ccco2)c1F
InChIInChI=1S/C14H12F2O2/c1-9-4-6-11(15)13(14(9)16)12(17)7-5-10-3-2-8-18-10/h2-4,6,8H,5,7H2,1H3
InChIKeyLCCRQMMNSHJRQX-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one 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-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105095849
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105116425
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024061
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105396704
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103296184
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
CID 115795792
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
(2-fluorophenyl) 3-(furan-2-yl)propanoate
CID 78776978
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one (CID 105124464) is 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one is Cc1ccc(F)c(C(=O)CCc2ccco2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is LCCRQMMNSHJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2/c1-9-4-6-11(15)13(14(9)16)12(17)7-5-10-3-2-8-18-10/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one?
1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 250.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105124464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).