propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid

C8H13F3N2O3 — CID 87582239

IUPACpropan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid
SMILESCC(C)N(CCNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-5(2)13(7(15)16)4-3-12-6(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBKLYLSFBJLNQCU-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.05
Rot. Bonds4

About propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid

propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid (PubChem CID 87582239) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid.

Molecular Properties

Compound Namepropan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid
PubChem CID87582239
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Namepropan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid
SMILESCC(C)N(CCNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-5(2)13(7(15)16)4-3-12-6(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBKLYLSFBJLNQCU-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]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 propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid?
The IUPAC name of propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid (CID 87582239) is propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid.
What is the SMILES notation for propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid?
The canonical SMILES for propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid is CC(C)N(CCNC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid?
The InChIKey is BKLYLSFBJLNQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-5(2)13(7(15)16)4-3-12-6(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid?
propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid has a molecular weight of 242.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid is sourced from PubChem (CID 87582239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).