2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride

C6H10ClF3N2O — CID 42614570

IUPAC2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC1)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/t4-;/m1./s1
InChIKeyCMZSIQCZAFAEDH-PGMHMLKASA-N
MW218.61 g/mol
LogP0.45
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride

2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 42614570) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID42614570
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC Name2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC1)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/t4-;/m1./s1
InChIKeyCMZSIQCZAFAEDH-PGMHMLKASA-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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride (CID 42614570) is 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride is Cl.O=C(N[C@@H]1CCNC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is CMZSIQCZAFAEDH-PGMHMLKASA-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/t4-;/m1./s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride?
2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;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-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 42614570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).