N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C11H19F3N2O — CID 54871879

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CCCN1
InChIInChI=1S/C11H19F3N2O/c1-8(2)6-16(7-11(12,13)14)10(17)9-4-3-5-15-9/h8-9,15H,3-7H2,1-2H3
InChIKeySQKJJCIZFOTYFM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 54871879) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID54871879
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CCCN1
InChIInChI=1S/C11H19F3N2O/c1-8(2)6-16(7-11(12,13)14)10(17)9-4-3-5-15-9/h8-9,15H,3-7H2,1-2H3
InChIKeySQKJJCIZFOTYFM-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129896
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
methyl 3-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 93373232
(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 93371950
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 54870149
(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 103797895
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 54871879) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1CCCN1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is SQKJJCIZFOTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)6-16(7-11(12,13)14)10(17)9-4-3-5-15-9/h8-9,15H,3-7H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54871879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).