2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide

C11H19F3N2O — CID 126576034

IUPAC2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide
SMILESCCC(CC)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-3-9(4-2)16-6-5-8(7-16)15-10(17)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyKWEXZWMCIBXAGT-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds4

About 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide

2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide (PubChem CID 126576034) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide
PubChem CID126576034
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide
SMILESCCC(CC)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-3-9(4-2)16-6-5-8(7-16)15-10(17)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyKWEXZWMCIBXAGT-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
(3S)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 87679206
2,2,2-trifluoro-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651055
N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide
CID 146427409
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108548655
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
3-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
CID 87189133
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
CID 103733776
N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide
CID 167375390
1-hexan-3-yl-N-propylpyrrolidin-3-amine
CID 62119500
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
CID 139316363

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide (CID 126576034) is 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide is CCC(CC)N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide?
The InChIKey is KWEXZWMCIBXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-9(4-2)16-6-5-8(7-16)15-10(17)11(12,13)14/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide?
2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 126576034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).