1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one

C12H12F2O — CID 63351882

IUPAC1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C12H12F2O/c13-10-4-5-11(14)9(7-10)3-6-12(15)8-1-2-8/h4-5,7-8H,1-3,6H2
InChIKeyQBVVRHKNKIVADB-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one

1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one (PubChem CID 63351882) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
PubChem CID63351882
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
SMILESO=C(CCc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C12H12F2O/c13-10-4-5-11(14)9(7-10)3-6-12(15)8-1-2-8/h4-5,7-8H,1-3,6H2
InChIKeyQBVVRHKNKIVADB-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one
CID 64502889
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
4-(4-chloro-2-fluorophenyl)-1-cyclopropylbutan-1-one
CID 114859961
1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one
CID 64506189
(3S)-1-[3-(2,5-difluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173536
3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
CID 63905359
N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide
CID 115272912

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one (CID 63351882) is 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one is O=C(CCc1cc(F)ccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one?
The InChIKey is QBVVRHKNKIVADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c13-10-4-5-11(14)9(7-10)3-6-12(15)8-1-2-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one?
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one has a molecular weight of 210.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one is sourced from PubChem (CID 63351882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).