1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone

C11H10F2O — CID 115020521

IUPAC1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C11H10F2O/c1-7(14)8-4-2-3-5-9(8)10-6-11(10,12)13/h2-5,10H,6H2,1H3
InChIKeyRZCQDGBDOZFINJ-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.01
Rot. Bonds2

About 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone

1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone (PubChem CID 115020521) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone
PubChem CID115020521
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1C1CC1(F)F
InChIInChI=1S/C11H10F2O/c1-7(14)8-4-2-3-5-9(8)10-6-11(10,12)13/h2-5,10H,6H2,1H3
InChIKeyRZCQDGBDOZFINJ-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(2,2-difluorocyclopropyl)benzoate
CID 121314140
1-[2-(3,3-difluorocyclohexyl)phenyl]ethanone
CID 115042508
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2-acetylphenyl)ethanone;methane
CID 158210616
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone
CID 115019022
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone?
The IUPAC name of 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone (CID 115020521) is 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone is CC(=O)c1ccccc1C1CC1(F)F.
What is the InChIKey of 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone?
The InChIKey is RZCQDGBDOZFINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-7(14)8-4-2-3-5-9(8)10-6-11(10,12)13/h2-5,10H,6H2,1H3.
What are the key properties of 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone?
1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone has a molecular weight of 196.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone is sourced from PubChem (CID 115020521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).