[(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate

C8H13F3N2O2 — CID 66697914

IUPAC[(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESC[C@H](OC(=O)N[C@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-5(8(9,10)11)15-7(14)13-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H,13,14)/t5-,6-/m0/s1
InChIKeyNYRKFWUHVGPVMJ-WDSKDSINSA-N
MW226.20 g/mol
LogP1.03
Rot. Bonds2

About [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate

[(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 66697914) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name[(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID66697914
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name[(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESC[C@H](OC(=O)N[C@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-5(8(9,10)11)15-7(14)13-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H,13,14)/t5-,6-/m0/s1
InChIKeyNYRKFWUHVGPVMJ-WDSKDSINSA-N
XLogP1.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-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

Related Compounds

rac-tert-butyl N-((3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)carbamate
CID 22867702
tert-butyl (3S)-3-((2,2-difluoroethyl)amino)pyrrolidine-1-carboxylate
CID 57878698
rac-tert-butyl N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]carbamate
CID 130752827
(3S,4R)-(4-Fluoro-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
CID 22867687
tert-butyl N-((4,4-difluoropyrrolidin-2-yl)methyl)carbamate
CID 122411575
rac-tert-butyl N-[(3R,5S)-5-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 125515132
tert-butyl N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 84589191
tert-Butyl ((3S,4S)-4-(difluoromethyl)pyrrolidin-3-yl)carbamate
CID 11172403
Tert-butyl N-[4-(difluoromethyl)pyrrolidin-3-yl]carbamate
CID 11287798
tert-Butyl (4-fluoropyrrolidin-3-yl)carbamate
CID 19691495
tert-butyl ((3S,4S)-4-fluoropyrrolidin-3-yl)carbamate
CID 22869549
tert-Butyl N-[4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 22911448

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate (CID 66697914) is [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate is C[C@H](OC(=O)N[C@H]1CCNC1)C(F)(F)F.
What is the InChIKey of [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is NYRKFWUHVGPVMJ-WDSKDSINSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-5(8(9,10)11)15-7(14)13-6-2-3-12-4-6/h5-6,12H,2-4H2,1H3,(H,13,14)/t5-,6-/m0/s1.
What are the key properties of [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate?
[(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 226.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1,1-trifluoropropan-2-yl] N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 66697914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).