N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H17F3N2O2 — CID 103213015

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1(C)C(N)CC1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(2)6(14)3-7(9)15-8(16)4-17-5-10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyGQCJJROJMSHXOK-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.81
Rot. Bonds4

About N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103213015) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103213015
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1(C)C(N)CC1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(2)6(14)3-7(9)15-8(16)4-17-5-10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyGQCJJROJMSHXOK-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-Methylcyclobutyl)methyl-piperidin-4-ylamino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 155407802
1-(aminomethyl)-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
CID 80598406
1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
CID 80598537
3-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 81984580
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990297
N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990487
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86994664
1-[3-Methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205301
1-[4-(Ethylamino)-3-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205304
1-[3-Methyl-4-(propylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205307
N-(1-aminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205456
N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206380

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103213015) is N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC1(C)C(N)CC1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GQCJJROJMSHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(2)6(14)3-7(9)15-8(16)4-17-5-10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103213015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).