3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C11H20F3N3O — CID 115663003

IUPAC3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-3-16(4-2)9-5-6-17(7-9)10(18)15-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyMVGQAECOIQAMNB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.67
Rot. Bonds4

About 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 115663003) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID115663003
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-3-16(4-2)9-5-6-17(7-9)10(18)15-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyMVGQAECOIQAMNB-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001243
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 114498803
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113462923
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 103159359
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 63549343
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 64592292
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 63550411

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 115663003) is 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is MVGQAECOIQAMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-3-16(4-2)9-5-6-17(7-9)10(18)15-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115663003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).