trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate

C11H11F3O3 — CID 140700039

IUPACtrifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate
SMILESCc1c(C2CCCC2C(=O)OC(F)(F)F)c1=O
InChIInChI=1S/C11H11F3O3/c1-5-8(9(5)15)6-3-2-4-7(6)10(16)17-11(12,13)14/h6-7H,2-4H2,1H3
InChIKeyAKFVNBHFLSUMHG-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.18
Rot. Bonds2

About trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate

trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate (PubChem CID 140700039) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate
PubChem CID140700039
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Nametrifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate
SMILESCc1c(C2CCCC2C(=O)OC(F)(F)F)c1=O
InChIInChI=1S/C11H11F3O3/c1-5-8(9(5)15)6-3-2-4-7(6)10(16)17-11(12,13)14/h6-7H,2-4H2,1H3
InChIKeyAKFVNBHFLSUMHG-UHFFFAOYSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-Methyl-6-oxo-2-(2,2,2-trifluoroethyl)cyclohexen-1-yl]propanoic acid
CID 12622118
methyl (3aR,4R,7aR)-6-acetyl-7-(2-methylpropyl)-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
CID 102400433

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate (CID 140700039) is trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate is Cc1c(C2CCCC2C(=O)OC(F)(F)F)c1=O.
What is the InChIKey of trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate?
The InChIKey is AKFVNBHFLSUMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-5-8(9(5)15)6-3-2-4-7(6)10(16)17-11(12,13)14/h6-7H,2-4H2,1H3.
What are the key properties of trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate?
trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate has a molecular weight of 248.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-(2-methyl-3-oxocyclopropen-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 140700039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).