2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate

C12H23F3N2O2 — CID 65174038

IUPAC2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate
SMILESCCN(CC)CCCC(C)NC(=O)OCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-17(5-2)8-6-7-10(3)16-11(18)19-9-12(13,14)15/h10H,4-9H2,1-3H3,(H,16,18)
InChIKeyWJSSQNWJQHGSSU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.79
Rot. Bonds8

About 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate

2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate (PubChem CID 65174038) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate
PubChem CID65174038
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate
SMILESCCN(CC)CCCC(C)NC(=O)OCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-17(5-2)8-6-7-10(3)16-11(18)19-9-12(13,14)15/h10H,4-9H2,1-3H3,(H,16,18)
InChIKeyWJSSQNWJQHGSSU-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-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-[5-(diethylamino)pentan-2-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate (CID 65174038) is 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate is CCN(CC)CCCC(C)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate?
The InChIKey is WJSSQNWJQHGSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-17(5-2)8-6-7-10(3)16-11(18)19-9-12(13,14)15/h10H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate?
2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate has a molecular weight of 284.32 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[5-(diethylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 65174038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).