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

C13H14F2O2 — CID 114931443

IUPAC1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C13H14F2O2/c1-17-13(8-5-6-8)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,8,13H,5-7H2,1H3
InChIKeyLATFLRVYKVPBLC-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.50
Rot. Bonds5

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

1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one (PubChem CID 114931443) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
PubChem CID114931443
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C13H14F2O2/c1-17-13(8-5-6-8)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,8,13H,5-7H2,1H3
InChIKeyLATFLRVYKVPBLC-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-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 116751104
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
CID 116709160
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
CID 102617821
1-cyclopropyl-1-methoxybutan-2-one
CID 83225361
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116750878
1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
CID 116750876
1-(2-chloro-6-fluorophenyl)-3-methoxypentan-2-one
CID 116707234
2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone
CID 116709189
1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
CID 116709210
1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one
CID 114931445

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one (CID 114931443) is 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one is COC(C(=O)Cc1c(F)cccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one?
The InChIKey is LATFLRVYKVPBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-17-13(8-5-6-8)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one?
1-cyclopropyl-3-(2,6-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-(2,6-difluorophenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 114931443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).