2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O — CID 115713614

IUPAC2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(9(2)3-4-9)14-5-8(16)15-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyTWENXHLCBOOYJT-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds5

About 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115713614) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115713614
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NCC(=O)NCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(9(2)3-4-9)14-5-8(16)15-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyTWENXHLCBOOYJT-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
(2S)-N,3,3-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 12054385
(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 53733314
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
CID 58821518
N-(2-fluorocyclopropyl)-3,3-dimethyl-2-(methylamino)butanamide
CID 70337135
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
N-[2-acetamido-4-fluoro-3,3-bis(fluoromethyl)butyl]acetamide
CID 87529423
2-amino-N-(2,2-difluoroethyl)-3,3-dimethylbutanamide
CID 87622940
N-(2-amino-3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 87713745
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide
CID 88935793

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 115713614) is 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC(NCC(=O)NCC(F)(F)F)C1(C)CC1.
What is the InChIKey of 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TWENXHLCBOOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(9(2)3-4-9)14-5-8(16)15-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylcyclopropyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115713614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).