(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide

C6H9F3N2O — CID 139193732

IUPAC(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(C(F)(F)F)CCCN1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(4(10)12)2-1-3-11-5/h11H,1-3H2,(H2,10,12)/t5-/m1/s1
InChIKeyKJUXWWIRFHATJR-RXMQYKEDSA-N
MW182.14 g/mol
LogP0.16
Rot. Bonds1

About (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide

(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 139193732) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID139193732
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(C(F)(F)F)CCCN1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(4(10)12)2-1-3-11-5/h11H,1-3H2,(H2,10,12)/t5-/m1/s1
InChIKeyKJUXWWIRFHATJR-RXMQYKEDSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 139193732) is (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide is NC(=O)[C@@]1(C(F)(F)F)CCCN1.
What is the InChIKey of (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is KJUXWWIRFHATJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)5(4(10)12)2-1-3-11-5/h11H,1-3H2,(H2,10,12)/t5-/m1/s1.
What are the key properties of (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 182.14 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 139193732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).