(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone

C11H10F2O — CID 121222554

IUPAC(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CC2(F)F)cc1
InChIInChI=1S/C11H10F2O/c1-7-2-4-8(5-3-7)10(14)9-6-11(9,12)13/h2-5,9H,6H2,1H3
InChIKeyCFGFYLNVZGVYRQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.83
Rot. Bonds2

About (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone

(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone (PubChem CID 121222554) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
PubChem CID121222554
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CC2(F)F)cc1
InChIInChI=1S/C11H10F2O/c1-7-2-4-8(5-3-7)10(14)9-6-11(9,12)13/h2-5,9H,6H2,1H3
InChIKeyCFGFYLNVZGVYRQ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 72755670
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
1-(2,2-difluorocyclopropyl)-4-methylbenzene
CID 25210513
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone
CID 107000656
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
ethane;4-methylbenzoyl iodide
CID 142151570
N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide
CID 166284406
trans-methyl (1S,2S)-2-(4-methylbenzoyl)cyclopropane-1-carboxylate
CID 99992932
2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
CID 131857858

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone (CID 121222554) is (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CC2(F)F)cc1.
What is the InChIKey of (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone?
The InChIKey is CFGFYLNVZGVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-7-2-4-8(5-3-7)10(14)9-6-11(9,12)13/h2-5,9H,6H2,1H3.
What are the key properties of (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone?
(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone has a molecular weight of 196.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 121222554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).