2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride

C6H10ClF3N2O — CID 2760698

IUPAC2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H
InChIKeyCMZSIQCZAFAEDH-UHFFFAOYSA-N
MW218.61 g/mol
LogP0.45
Rot. Bonds1

About 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride

2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 2760698) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID2760698
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC Name2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H
InChIKeyCMZSIQCZAFAEDH-UHFFFAOYSA-N
XLogP0.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetamidopyrrolidine
CID 522715
(3R)-(+)-3-Acetamidopyrrolidine
CID 7016129
(S)-(-)-3-Acetamidopyrrolidine
CID 7021471
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 42614570
AC1Odwrv
CID 7022081
3-(N-Acetyl-N-methylamino)pyrrolidine
CID 13041130
(3S)-(-)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 42614571
1-((3R)-3-aminopyrrolidin-1-yl)ethan-1-one hydrochloride
CID 53256078
3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 54592868
1-(3-Aminopyrrolidin-1-yl)ethan-1-one hydrochloride
CID 71756205
N-(pyrrolidin-3-yl)propanamide
CID 18337238
4-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one hydrochloride
CID 53532666

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 2760698) is 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride is Cl.O=C(NC1CCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is CMZSIQCZAFAEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H.
What are the key properties of 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride?
2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 218.61 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 2760698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).