1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone

C12H12F2O — CID 84723110

IUPAC1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C2(C(F)F)CC2)c1
InChIInChI=1S/C12H12F2O/c1-8(15)9-3-2-4-10(7-9)12(5-6-12)11(13)14/h2-4,7,11H,5-6H2,1H3
InChIKeyDNCZAYFYSLLBAQ-UHFFFAOYSA-N
MW210.22 g/mol
LogP3.19
Rot. Bonds3

About 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone

1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone (PubChem CID 84723110) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone
PubChem CID84723110
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C2(C(F)F)CC2)c1
InChIInChI=1S/C12H12F2O/c1-8(15)9-3-2-4-10(7-9)12(5-6-12)11(13)14/h2-4,7,11H,5-6H2,1H3
InChIKeyDNCZAYFYSLLBAQ-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone?
The IUPAC name of 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone (CID 84723110) is 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone is CC(=O)c1cccc(C2(C(F)F)CC2)c1.
What is the InChIKey of 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone?
The InChIKey is DNCZAYFYSLLBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c1-8(15)9-3-2-4-10(7-9)12(5-6-12)11(13)14/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone?
1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone has a molecular weight of 210.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone is sourced from PubChem (CID 84723110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).