1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid

C8H10F3NO4 — CID 123442936

IUPAC1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OCC(F)(F)F)C1(C(=O)O)CC1
InChIInChI=1S/C8H10F3NO4/c1-12(7(2-3-7)5(13)14)6(15)16-4-8(9,10)11/h2-4H2,1H3,(H,13,14)
InChIKeyCULVKXVREKGJFA-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.23
Rot. Bonds3

About 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid

1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 123442936) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID123442936
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OCC(F)(F)F)C1(C(=O)O)CC1
InChIInChI=1S/C8H10F3NO4/c1-12(7(2-3-7)5(13)14)6(15)16-4-8(9,10)11/h2-4H2,1H3,(H,13,14)
InChIKeyCULVKXVREKGJFA-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid (CID 123442936) is 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid is CN(C(=O)OCC(F)(F)F)C1(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is CULVKXVREKGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c1-12(7(2-3-7)5(13)14)6(15)16-4-8(9,10)11/h2-4H2,1H3,(H,13,14).
What are the key properties of 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid?
1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123442936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).