3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C9H16F3N3O — CID 138498559

IUPAC3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CN(C(=O)NCC(F)(F)F)CC1N
InChIInChI=1S/C9H16F3N3O/c1-2-6-3-15(4-7(6)13)8(16)14-5-9(10,11)12/h6-7H,2-5,13H2,1H3,(H,14,16)
InChIKeyVDSPEYWLRSNHED-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.93
Rot. Bonds2

About 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 138498559) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID138498559
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCC1CN(C(=O)NCC(F)(F)F)CC1N
InChIInChI=1S/C9H16F3N3O/c1-2-6-3-15(4-7(6)13)8(16)14-5-9(10,11)12/h6-7H,2-5,13H2,1H3,(H,14,16)
InChIKeyVDSPEYWLRSNHED-UHFFFAOYSA-N
XLogP0.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
3-Amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
CID 90488125
(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 95907873
2,2-dimethyl-N-(4,4,4-trifluorobutyl)pyrrolidine-1-carboxamide
CID 121525649
N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468023
(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 71287734
N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72703084
1-(2,2,2-Trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 83897503
3-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115686644
4,4-Di(propan-2-yl)-5-(trifluoromethyl)imidazolidin-2-one
CID 117693278
1-tert-butyl-3-[(3R)-1-[(2R)-2-fluorobutyl]pyrrolidin-3-yl]urea
CID 118591728
1-tert-butyl-3-[(3R)-1-[(2S)-2-fluorobutyl]pyrrolidin-3-yl]urea
CID 118591729

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 138498559) is 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CCC1CN(C(=O)NCC(F)(F)F)CC1N.
What is the InChIKey of 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is VDSPEYWLRSNHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-2-6-3-15(4-7(6)13)8(16)14-5-9(10,11)12/h6-7H,2-5,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 138498559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).