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

C11H19F3N2O — CID 79357973

IUPAC2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)C(NCC(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H19F3N2O/c1-9(2)8(10(9,3)4)15-5-7(17)16-6-11(12,13)14/h8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyKWASILPVLAMPND-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.69
Rot. Bonds4

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

2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79357973) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79357973
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)C(NCC(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H19F3N2O/c1-9(2)8(10(9,3)4)15-5-7(17)16-6-11(12,13)14/h8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyKWASILPVLAMPND-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 118369505
2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60976887
2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647542
2-[(1,1-dioxothian-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961742
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55087126
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113237119
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107424383
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62517442
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 79357973) is 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1(C)C(NCC(=O)NCC(F)(F)F)C1(C)C.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KWASILPVLAMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-9(2)8(10(9,3)4)15-5-7(17)16-6-11(12,13)14/h8,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79357973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).