1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone

C13H14F2O3 — CID 43150284

IUPAC1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone
SMILESCOc1ccc(C2CC2C(C)=O)cc1OC(F)F
InChIInChI=1S/C13H14F2O3/c1-7(16)9-6-10(9)8-3-4-11(17-2)12(5-8)18-13(14)15/h3-5,9-10,13H,6H2,1-2H3
InChIKeyXZMGGYYFLKSELE-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone

1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone (PubChem CID 43150284) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone
PubChem CID43150284
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone
SMILESCOc1ccc(C2CC2C(C)=O)cc1OC(F)F
InChIInChI=1S/C13H14F2O3/c1-7(16)9-6-10(9)8-3-4-11(17-2)12(5-8)18-13(14)15/h3-5,9-10,13H,6H2,1-2H3
InChIKeyXZMGGYYFLKSELE-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 57011853
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(4R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 61147260
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174
methyl (4S)-4-[3-(difluoromethoxy)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8810970

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone?
The IUPAC name of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone (CID 43150284) is 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone is COc1ccc(C2CC2C(C)=O)cc1OC(F)F.
What is the InChIKey of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone?
The InChIKey is XZMGGYYFLKSELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-7(16)9-6-10(9)8-3-4-11(17-2)12(5-8)18-13(14)15/h3-5,9-10,13H,6H2,1-2H3.
What are the key properties of 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone?
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone has a molecular weight of 256.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone is sourced from PubChem (CID 43150284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).