2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O — CID 106813058

IUPAC2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(CNCC(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C10H17F3N2O/c1-9(3-2-4-9)6-14-5-8(16)15-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyOXBWBHMKDKGDJE-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds5

About 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106813058) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106813058
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(CNCC(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C10H17F3N2O/c1-9(3-2-4-9)6-14-5-8(16)15-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyOXBWBHMKDKGDJE-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

(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237697
N-(4,4-dimethylpentyl)-2,2,2-trifluoroacetamide
CID 131064783
N-cyclopropyl-N-[2-[2-(ethylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoroacetamide
CID 134469175
N-{[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]methyl}acetamide
CID 135393417
2-[(1-Tert-butyl-3,3-difluorocyclobutyl)amino]acetamide
CID 140911440
2-[(3,3-Difluoro-1-methylcyclobutyl)amino]acetamide;ethane
CID 145226475
N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide
CID 155155046
N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane
CID 164555304
ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 164555991
2-[[3,3-Dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-4-methylpentanamide
CID 169656926
2-amino-N-[2,2-difluoro-3-(1-methylcyclopropyl)propyl]acetamide
CID 169678652
(3,3-Difluoro-1-methylcyclobutyl)-piperazin-1-ylmethanone
CID 175853412

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 106813058) is 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1(CNCC(=O)NCC(F)(F)F)CCC1.
What is the InChIKey of 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OXBWBHMKDKGDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(3-2-4-9)6-14-5-8(16)15-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[(1-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-methylcyclobutyl)methylamino]-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-methylcyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106813058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).