N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C7H11F3N2O — CID 63708397

IUPACN-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H11F3N2O/c1-11-5(13)6(7(8,9)10)2-3-12-4-6/h12H,2-4H2,1H3,(H,11,13)
InChIKeyUNDNFQNJBYHTPV-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.27
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708397) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708397
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H11F3N2O/c1-11-5(13)6(7(8,9)10)2-3-12-4-6/h12H,2-4H2,1H3,(H,11,13)
InChIKeyUNDNFQNJBYHTPV-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylpyrrolidine-3-carboxamide
CID 23090433
(3R)-N-methylpyrrolidine-3-carboxamide
CID 28280630
3-Methylpyrrolidine-3-carboxamide
CID 63138518
N,3-dimethylpyrrolidine-3-carboxamide
CID 63141180
(3S)-N-methylpyrrolidine-3-carboxamide
CID 28280634
4-Methyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 105433259
rac-(3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxamide hydrochloride
CID 119031877
4-Bistrifluoromethyl-2-pyrrolidinone
CID 105476927
(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide
CID 164638908
(3S)-N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 57605997
(3S)-N-(2,2-difluoroethyl)pyrrolidine-3-carboxamide
CID 57606100
N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60753369

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708397) is N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UNDNFQNJBYHTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11-5(13)6(7(8,9)10)2-3-12-4-6/h12H,2-4H2,1H3,(H,11,13).
What are the key properties of N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).