[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid

C7H9F3N2O3 — CID 90217978

IUPAC[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)3-11-4(13)6(1-2-6)12-5(14)15/h12H,1-3H2,(H,11,13)(H,14,15)
InChIKeyIRXOOCUKWCLOQQ-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.47
Rot. Bonds3

About [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid

[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid (PubChem CID 90217978) has the molecular formula C7H9F3N2O3 and a molecular weight of 226.15 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid
PubChem CID90217978
Molecular FormulaC7H9F3N2O3
Molecular Weight226.15 g/mol
Exact Mass226.06
IUPAC Name[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)3-11-4(13)6(1-2-6)12-5(14)15/h12H,1-3H2,(H,11,13)(H,14,15)
InChIKeyIRXOOCUKWCLOQQ-UHFFFAOYSA-N
XLogP0.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid (CID 90217978) is [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid is O=C(O)NC1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The InChIKey is IRXOOCUKWCLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3/c8-7(9,10)3-11-4(13)6(1-2-6)12-5(14)15/h12H,1-3H2,(H,11,13)(H,14,15).
What are the key properties of [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid has a molecular weight of 226.15 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 90217978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).