2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid

C7H8F3NO3 — CID 60792519

IUPAC2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)2-11-5(12)3-1-4(3)6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyFVRKURJKDWIJSR-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.39
Rot. Bonds3

About 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid

2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 60792519) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID60792519
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)2-11-5(12)3-1-4(3)6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKeyFVRKURJKDWIJSR-UHFFFAOYSA-N
XLogP0.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 60792519) is 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is FVRKURJKDWIJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)2-11-5(12)3-1-4(3)6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 211.14 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).