1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one

C13H14F2O — CID 64502889

IUPAC1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one
SMILESO=C(CCCc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C13H14F2O/c14-11-6-7-12(15)10(8-11)2-1-3-13(16)9-4-5-9/h6-9H,1-5H2
InChIKeyAMOUEKFEOCGKII-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.27
Rot. Bonds5

About 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one

1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one (PubChem CID 64502889) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one
PubChem CID64502889
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one
SMILESO=C(CCCc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C13H14F2O/c14-11-6-7-12(15)10(8-11)2-1-3-13(16)9-4-5-9/h6-9H,1-5H2
InChIKeyAMOUEKFEOCGKII-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
4-(4-chloro-2-fluorophenyl)-1-cyclopropylbutan-1-one
CID 114859961
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
CID 63905359
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
CID 142018842
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one?
The IUPAC name of 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one (CID 64502889) is 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one.
What is the SMILES notation for 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one?
The canonical SMILES for 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one is O=C(CCCc1cc(F)ccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one?
The InChIKey is AMOUEKFEOCGKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c14-11-6-7-12(15)10(8-11)2-1-3-13(16)9-4-5-9/h6-9H,1-5H2.
What are the key properties of 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one?
1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one has a molecular weight of 224.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one is sourced from PubChem (CID 64502889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).