tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate

C16H21F3N2O2 — CID 156774724

IUPACtert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21(13-8-9-20-10-13)12-6-4-11(5-7-12)16(17,18)19/h4-7,13,20H,8-10H2,1-3H3
InChIKeySZLRCKNPPBILDW-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.81
Rot. Bonds2

About tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate

tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate (PubChem CID 156774724) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate
PubChem CID156774724
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Nametert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21(13-8-9-20-10-13)12-6-4-11(5-7-12)16(17,18)19/h4-7,13,20H,8-10H2,1-3H3
InChIKeySZLRCKNPPBILDW-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-(azepan-3-yl)-N-phenylcarbamate
CID 141141954
tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
CID 69045153
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 167504165
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
CID 168977654
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
N-pyrrolidin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]but-2-enamide
CID 54486985
ethyl (E)-3-[6-[(2-methylpropan-2-yl)oxycarbonyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoate;dihydrochloride
CID 86603639

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate (CID 156774724) is tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate is CC(C)(C)OC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCNC1.
What is the InChIKey of tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is SZLRCKNPPBILDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21(13-8-9-20-10-13)12-6-4-11(5-7-12)16(17,18)19/h4-7,13,20H,8-10H2,1-3H3.
What are the key properties of tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 330.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 156774724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).