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

C12H21F3N2O2 — CID 67329175

IUPACtert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC(F)(F)F)C1CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17(7-5-12(13,14)15)9-4-6-16-8-9/h9,16H,4-8H2,1-3H3
InChIKeyNQAZVFFBJXDXEA-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.54
Rot. Bonds3

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

tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate (PubChem CID 67329175) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate
PubChem CID67329175
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Nametert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC(F)(F)F)C1CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17(7-5-12(13,14)15)9-4-6-16-8-9/h9,16H,4-8H2,1-3H3
InChIKeyNQAZVFFBJXDXEA-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
CID 2761404
(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514396
tert-butyl [(3S)-1-cyanopyrrolidin-3-yl]carbamate
CID 59028747
(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine
CID 2756484
(R)-(+)-1-Boc-3-aminopyrrolidine
CID 854070
(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514397
tert-butyl N-(pyrrolidin-3-yl)carbamate
CID 2757234
tert-Butyl (R)-(1-cyanopyrrolidin-3-yl)carbamate
CID 70695553
tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate
CID 854071
tert-Butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 1512533
tert-butyl (2R)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 1512534
1-Boc-3-aminopyrrolidine
CID 2756370

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate?
The IUPAC name of tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate (CID 67329175) is tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate is CC(C)(C)OC(=O)N(CCC(F)(F)F)C1CCNC1.
What is the InChIKey of tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate?
The InChIKey is NQAZVFFBJXDXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17(7-5-12(13,14)15)9-4-6-16-8-9/h9,16H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate?
tert-butyl N-pyrrolidin-3-yl-N-(3,3,3-trifluoropropyl)carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.54, 3 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-(3,3,3-trifluoropropyl)carbamate is sourced from PubChem (CID 67329175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).