N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide

C10H17F3N2O — CID 114632369

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide
SMILESCC1(C)C(N)CC1NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-9(2)6(14)5-7(9)15-8(16)3-4-10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyCSHOOTZDIIOMEN-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds3

About N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide

N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide (PubChem CID 114632369) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide
PubChem CID114632369
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide
SMILESCC1(C)C(N)CC1NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-9(2)6(14)5-7(9)15-8(16)3-4-10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyCSHOOTZDIIOMEN-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide
CID 114632325
ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
CID 114632504
N-(3-amino-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114632383
N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
CID 114632478
N-(3-amino-2,2-dimethylcyclobutyl)-2-naphthalen-2-ylacetamide
CID 114632481
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114632374
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 114632488
4-(4,4,4-trifluorobutanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79208511
N-(3-amino-2,2-dimethylcyclobutyl)-3,5-dimethylbenzamide
CID 114632427
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
CID 106995303
N-(3-amino-2,2-dimethylcyclobutyl)-2-methylcyclopentane-1-carboxamide
CID 107184778

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide (CID 114632369) is N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide is CC1(C)C(N)CC1NC(=O)CCC(F)(F)F.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide?
The InChIKey is CSHOOTZDIIOMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(2)6(14)5-7(9)15-8(16)3-4-10(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)-4,4,4-trifluorobutanamide?
N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide has a molecular weight of 238.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 114632369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).