(3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C8H13F3N2O — CID 129054519

IUPAC(3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c1-6-2-3-13(4-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyRKPUWBMEDWCTGA-LURJTMIESA-N
MW210.20 g/mol
LogP1.60
Rot. Bonds1

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

(3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 129054519) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID129054519
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name(3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c1-6-2-3-13(4-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1
InChIKeyRKPUWBMEDWCTGA-LURJTMIESA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
CID 11521966
3,3-Dimethyl-1-((1-methylpyrrolidin-3-yl)methyl)urea
CID 110475769
1,3-Dimethyl-1-((1-methylpyrrolidin-3-yl)methyl)urea
CID 115613899
3-Ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 116654403
3-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
CID 127930996
N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 57968813
3-Methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 59735239
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 71046487
(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 71287734
1-Butyl-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 78891445
N-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 108865930
N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115575930

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 129054519) is (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is C[C@H]1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is RKPUWBMEDWCTGA-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6-2-3-13(4-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 210.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129054519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).