N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2O — CID 55227644

IUPACN-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-9(2,3)6-16-8(17)10(11(12,13)14)4-5-15-7-10/h15H,4-7H2,1-3H3,(H,16,17)
InChIKeyXTLOMSUUGUHTAP-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.69
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227644) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227644
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O/c1-9(2,3)6-16-8(17)10(11(12,13)14)4-5-15-7-10/h15H,4-7H2,1-3H3,(H,16,17)
InChIKeyXTLOMSUUGUHTAP-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethylpyrrolidine-3-carboxamide
CID 63141180
4-Methyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 105433259
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-4,4,4-trifluorobutanamide
CID 45243609
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504
(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide
CID 164638908
(3S)-N-(2,2-difluoroethyl)pyrrolidine-3-carboxamide
CID 57606100
N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60753369
N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63007055
N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 63226902
N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708397
N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710914
(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 67293912

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227644) is N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)(C)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XTLOMSUUGUHTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-9(2,3)6-16-8(17)10(11(12,13)14)4-5-15-7-10/h15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).