1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one

C12H12F2O — CID 64506189

IUPAC1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one
SMILESO=C(CCc1c(F)cccc1F)C1CC1
InChIInChI=1S/C12H12F2O/c13-10-2-1-3-11(14)9(10)6-7-12(15)8-4-5-8/h1-3,8H,4-7H2
InChIKeyBYTRAKIIPAXUAA-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one

1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one (PubChem CID 64506189) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one
PubChem CID64506189
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one
SMILESO=C(CCc1c(F)cccc1F)C1CC1
InChIInChI=1S/C12H12F2O/c13-10-2-1-3-11(14)9(10)6-7-12(15)8-4-5-8/h1-3,8H,4-7H2
InChIKeyBYTRAKIIPAXUAA-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-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114733174
3-(2,6-difluorophenyl)propanoyl chloride
CID 83402658
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
CID 63351672
3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one
CID 135228814
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
4-amino-N-[4-(2,6-difluorophenyl)butyl]cyclohexane-1-carboxamide
CID 70974496
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
4-(4-chloro-2-fluorophenyl)-1-cyclopropylbutan-1-one
CID 114859961
3-(2,6-difluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759452

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one (CID 64506189) is 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one is O=C(CCc1c(F)cccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one?
The InChIKey is BYTRAKIIPAXUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c13-10-2-1-3-11(14)9(10)6-7-12(15)8-4-5-8/h1-3,8H,4-7H2.
What are the key properties of 1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one?
1-cyclopropyl-3-(2,6-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-(2,6-difluorophenyl)propan-1-one is sourced from PubChem (CID 64506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).