1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one

C13H14F2O2 — CID 116709160

IUPAC1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H14F2O2/c1-17-13(9-3-4-9)12(16)7-8-2-5-10(14)11(15)6-8/h2,5-6,9,13H,3-4,7H2,1H3
InChIKeyFRTXKDQWKHDYAZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.50
Rot. Bonds5

About 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one

1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one (PubChem CID 116709160) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
PubChem CID116709160
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H14F2O2/c1-17-13(9-3-4-9)12(16)7-8-2-5-10(14)11(15)6-8/h2,5-6,9,13H,3-4,7H2,1H3
InChIKeyFRTXKDQWKHDYAZ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
CID 114347373
2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82920497
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
CID 102617821
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116750878
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
1-cyclopropyl-1-methoxybutan-2-one
CID 83225361
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
CID 97330343
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one (CID 116709160) is 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one is COC(C(=O)Cc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one?
The InChIKey is FRTXKDQWKHDYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-17-13(9-3-4-9)12(16)7-8-2-5-10(14)11(15)6-8/h2,5-6,9,13H,3-4,7H2,1H3.
What are the key properties of 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one?
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one has a molecular weight of 240.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 116709160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).