4-(trifluoromethyl)pyrrolidine-2-carboxamide

C6H9F3N2O — CID 130019838

IUPAC4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(C(F)(F)F)CN1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-1-4(5(10)12)11-2-3/h3-4,11H,1-2H2,(H2,10,12)
InChIKeyHAAQEMCRNRUYBC-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.01
Rot. Bonds1

About 4-(trifluoromethyl)pyrrolidine-2-carboxamide

4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 130019838) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID130019838
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(C(F)(F)F)CN1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-1-4(5(10)12)11-2-3/h3-4,11H,1-2H2,(H2,10,12)
InChIKeyHAAQEMCRNRUYBC-UHFFFAOYSA-N
XLogP0.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 130019838) is 4-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)pyrrolidine-2-carboxamide is NC(=O)C1CC(C(F)(F)F)CN1.
What is the InChIKey of 4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is HAAQEMCRNRUYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)3-1-4(5(10)12)11-2-3/h3-4,11H,1-2H2,(H2,10,12).
What are the key properties of 4-(trifluoromethyl)pyrrolidine-2-carboxamide?
4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 182.14 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 130019838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).