[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate

C13H12F2O4 — CID 2356812

IUPAC[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2O4/c14-13(15)19-10-5-3-8(4-6-10)11(16)7-18-12(17)9-1-2-9/h3-6,9,13H,1-2,7H2
InChIKeyFSXVDODXBDWYEX-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.42
Rot. Bonds6

About [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2356812) has the molecular formula C13H12F2O4 and a molecular weight of 270.23 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2356812
Molecular FormulaC13H12F2O4
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2O4/c14-13(15)19-10-5-3-8(4-6-10)11(16)7-18-12(17)9-1-2-9/h3-6,9,13H,1-2,7H2
InChIKeyFSXVDODXBDWYEX-UHFFFAOYSA-N
XLogP2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 16507913
[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 9202083
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701421
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2389364
1-[4-(difluoromethoxy)phenyl]hex-5-yn-1-one
CID 115798397
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate
CID 23856260
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
[4-(difluoromethoxy)phenyl] 4-propylcyclohexane-1-carboxylate
CID 19436452
1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 6363229

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate (CID 2356812) is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is FSXVDODXBDWYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O4/c14-13(15)19-10-5-3-8(4-6-10)11(16)7-18-12(17)9-1-2-9/h3-6,9,13H,1-2,7H2.
What are the key properties of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate?
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 270.23 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2356812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).