2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate

C8H15F3N2O2 — CID 142714214

IUPAC2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CN)NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)6(3-12)13-7(14)15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyOGBFVYCMSNRCLA-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.26
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate

2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate (PubChem CID 142714214) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
PubChem CID142714214
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CN)NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)6(3-12)13-7(14)15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyOGBFVYCMSNRCLA-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate 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 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate (CID 142714214) is 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate is CC(C)C(CN)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The InChIKey is OGBFVYCMSNRCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-5(2)6(3-12)13-7(14)15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate has a molecular weight of 228.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 142714214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).