tert-butyl N-(3,3,3-trifluoropropyl)carbamate

C8H14F3NO2 — CID 65142651

IUPACtert-butyl N-(3,3,3-trifluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyGCJVFCJZMWUURS-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl N-(3,3,3-trifluoropropyl)carbamate

tert-butyl N-(3,3,3-trifluoropropyl)carbamate (PubChem CID 65142651) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is tert-butyl N-(3,3,3-trifluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3,3-trifluoropropyl)carbamate
PubChem CID65142651
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nametert-butyl N-(3,3,3-trifluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyGCJVFCJZMWUURS-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(3,3,3-trifluoropropyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl N-ethylcarbamate
CID 11198486
Tert-butyl N-butylcarbamate
CID 4271883
tert-Butyl (2-fluoroethyl)carbamate
CID 15356831
tert-Butyl (3-fluoropropyl)carbamate
CID 45092379
tert-butyl N-(2,2-difluorocyclopropyl)carbamate
CID 54592847
tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate
CID 75481390
tert-butyl N-{3-[(2,2,2-trifluoroethyl)amino]propyl}carbamate
CID 81740155
tert-butyl N-(3-amino-1,1,1-trifluoropropan-2-yl)carbamate
CID 84726007
tert-butyl N-[3-amino-2-(trifluoromethyl)propyl]carbamate
CID 84728230
Tert-butyl N-(2-((2,2,2-trifluoroethyl)amino)ethyl)carbamate
CID 86650773
tert-butyl N-(4-amino-3,3-difluorobutyl)carbamate
CID 87770356
tert-Butyl (S)-(1-fluoropropan-2-yl)carbamate
CID 89017310

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3,3-trifluoropropyl)carbamate?
The IUPAC name of tert-butyl N-(3,3,3-trifluoropropyl)carbamate (CID 65142651) is tert-butyl N-(3,3,3-trifluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3,3-trifluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3,3-trifluoropropyl)carbamate is CC(C)(C)OC(=O)NCCC(F)(F)F.
What is the InChIKey of tert-butyl N-(3,3,3-trifluoropropyl)carbamate?
The InChIKey is GCJVFCJZMWUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(3,3,3-trifluoropropyl)carbamate?
tert-butyl N-(3,3,3-trifluoropropyl)carbamate has a molecular weight of 213.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3,3-trifluoropropyl)carbamate is sourced from PubChem (CID 65142651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).