[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid

C10H11F3N2O3 — CID 22317610

IUPAC[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-2-18-8-4-7(15-9(16)17)6(14)3-5(8)10(11,12)13/h3-4,15H,2,14H2,1H3,(H,16,17)
InChIKeyKDLZUNOEOVTEPE-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.78
Rot. Bonds3

About [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid

[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 22317610) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid
PubChem CID22317610
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-2-18-8-4-7(15-9(16)17)6(14)3-5(8)10(11,12)13/h3-4,15H,2,14H2,1H3,(H,16,17)
InChIKeyKDLZUNOEOVTEPE-UHFFFAOYSA-N
XLogP2.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]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 [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid (CID 22317610) is [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid is CCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F.
What is the InChIKey of [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is KDLZUNOEOVTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-2-18-8-4-7(15-9(16)17)6(14)3-5(8)10(11,12)13/h3-4,15H,2,14H2,1H3,(H,16,17).
What are the key properties of [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid?
[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 264.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 22317610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).