(2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C9H15F3N2O — CID 141123758

IUPAC(2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC1(C)CCN[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-8(2)3-4-13-6(8)7(15)14-5-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,14,15)/t6-/m1/s1
InChIKeyKVSAOTOIZQZMQB-ZCFIWIBFSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds2

About (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 141123758) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID141123758
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name(2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC1(C)CCN[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-8(2)3-4-13-6(8)7(15)14-5-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,14,15)/t6-/m1/s1
InChIKeyKVSAOTOIZQZMQB-ZCFIWIBFSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 71653718
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 11064983
(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide hydrochloride
CID 121483140
3-Amino-4,4-diethylpyrrolidin-2-one
CID 131285623
N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide hydrochloride
CID 42889258
(2R)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide hydrochloride
CID 165690057
(2S,4R)-4-amino-N-methyl-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}pyrrolidine-2-carboxamide
CID 56703927
(2S,4S)-4-amino-N-methyl-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}pyrrolidine-2-carboxamide
CID 56710505
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 72133199
(2S,3S)-2-amino-3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pentan-1-one
CID 9882540
(2S,4S)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11636957
(2S)-N,3,3-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 12054385

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 141123758) is (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC1(C)CCN[C@@H]1C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is KVSAOTOIZQZMQB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-8(2)3-4-13-6(8)7(15)14-5-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,14,15)/t6-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 141123758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).