2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3N3O — CID 107424383

IUPAC2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(NCC(=O)NCC(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O/c1-8(2-3-13-5-8)15-4-7(16)14-6-9(10,11)12/h13,15H,2-6H2,1H3,(H,14,16)
InChIKeyUPLLDIDPQBNQKM-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.01
Rot. Bonds4

About 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107424383) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107424383
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(NCC(=O)NCC(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O/c1-8(2-3-13-5-8)15-4-7(16)14-6-9(10,11)12/h13,15H,2-6H2,1H3,(H,14,16)
InChIKeyUPLLDIDPQBNQKM-UHFFFAOYSA-N
XLogP0.01
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 107424328
2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 107424618
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129321060
3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
CID 130628505
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423829
N-(5-fluoro-2-methylphenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423548
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423504
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423637
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 107424383) is 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1(NCC(=O)NCC(F)(F)F)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UPLLDIDPQBNQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-8(2-3-13-5-8)15-4-7(16)14-6-9(10,11)12/h13,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107424383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).