1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one

C13H10ClFO2 — CID 105396704

IUPAC1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10ClFO2/c14-12-5-3-9(15)8-11(12)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2
InChIKeyWETRIAPDVHZFGO-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.89
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one

1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 105396704) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
PubChem CID105396704
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10ClFO2/c14-12-5-3-9(15)8-11(12)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2
InChIKeyWETRIAPDVHZFGO-UHFFFAOYSA-N
XLogP3.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
CID 105396768
5-fluoro-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 79883377
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
CID 105396458
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105095849
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one (CID 105396704) is 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is WETRIAPDVHZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c14-12-5-3-9(15)8-11(12)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one?
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 252.67 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105396704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).