ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate

C10H13F3O3 — CID 134469495

IUPACethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)CC)CC1C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-3-7(14)9(8(15)16-4-2)5-6(9)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyKECSLIBUSRPRLJ-UHFFFAOYSA-N
MW238.20 g/mol
LogP2.10
Rot. Bonds4

About ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate

ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate (PubChem CID 134469495) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate
PubChem CID134469495
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Nameethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)CC)CC1C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-3-7(14)9(8(15)16-4-2)5-6(9)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyKECSLIBUSRPRLJ-UHFFFAOYSA-N
XLogP2.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
trans-ethyl (1S,2R)-1-benzamido-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 70700365
cis-ethyl (1R,2S)-1-(benzenesulfonyl)-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 54577692
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 99998367
diethyl 2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 102568908
trans-ethyl (1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]-1-methylcyclopropane-1-carboxylate
CID 101002671
cis-ethyl (1S,2R)-2-formyl-1-(trifluoromethyl)cyclopropane-1-carboxylate
CID 166561105
ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
CID 123166470
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate (CID 134469495) is ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate is CCOC(=O)C1(C(=O)CC)CC1C(F)(F)F.
What is the InChIKey of ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The InChIKey is KECSLIBUSRPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3/c1-3-7(14)9(8(15)16-4-2)5-6(9)10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate?
ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate has a molecular weight of 238.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propanoyl-2-(trifluoromethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 134469495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).