1-cyclopropyl-3-(2-fluorophenyl)propan-1-one

C12H13FO — CID 63351757

IUPAC1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)C1CC1
InChIInChI=1S/C12H13FO/c13-11-4-2-1-3-9(11)7-8-12(14)10-5-6-10/h1-4,10H,5-8H2
InChIKeyVDDIEKIQCGSRLA-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.74
Rot. Bonds4

About 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one

1-cyclopropyl-3-(2-fluorophenyl)propan-1-one (PubChem CID 63351757) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
PubChem CID63351757
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)C1CC1
InChIInChI=1S/C12H13FO/c13-11-4-2-1-3-9(11)7-8-12(14)10-5-6-10/h1-4,10H,5-8H2
InChIKeyVDDIEKIQCGSRLA-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 171948228
3-(2-fluorophenyl)-1-(9-thiabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 171948226
1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one
CID 64506189
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
3-(2-fluorophenyl)propanoic acid
CID 2063866
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 171948222
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424476

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one (CID 63351757) is 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one is O=C(CCc1ccccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one?
The InChIKey is VDDIEKIQCGSRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-11-4-2-1-3-9(11)7-8-12(14)10-5-6-10/h1-4,10H,5-8H2.
What are the key properties of 1-cyclopropyl-3-(2-fluorophenyl)propan-1-one?
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one has a molecular weight of 192.23 g/mol, XLogP of 2.74, 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-fluorophenyl)propan-1-one is sourced from PubChem (CID 63351757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).