1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one

C13H22F3NO — CID 121368343

IUPAC1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
SMILESCC(C)(C)C(=O)C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-12(2,3)11(18)10(17)8-6-4-5-7-9(8)13(14,15)16/h8-10H,4-7,17H2,1-3H3
InChIKeyLAFWEYZZTDWHNO-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.30
Rot. Bonds2

About 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one

1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one (PubChem CID 121368343) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one.

Molecular Properties

Compound Name1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
PubChem CID121368343
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
SMILESCC(C)(C)C(=O)C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-12(2,3)11(18)10(17)8-6-4-5-7-9(8)13(14,15)16/h8-10H,4-7,17H2,1-3H3
InChIKeyLAFWEYZZTDWHNO-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 21660229
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 53828519
(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
CID 59115482
4-Amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one
CID 89300748
1-Amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
CID 121371206
(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
CID 121426448
1-Amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one
CID 126487607
2-(Aminomethyl)-4-(1,1-difluoropropyl)-3-methylcyclohexan-1-one
CID 135136296
1-Amino-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
CID 138525042
7-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one
CID 139888232
2-Amino-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one;ethane
CID 142227834
2-Amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane
CID 142227863

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one?
The IUPAC name of 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one (CID 121368343) is 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one.
What is the SMILES notation for 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one?
The canonical SMILES for 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one is CC(C)(C)C(=O)C(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one?
The InChIKey is LAFWEYZZTDWHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-12(2,3)11(18)10(17)8-6-4-5-7-9(8)13(14,15)16/h8-10H,4-7,17H2,1-3H3.
What are the key properties of 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one?
1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one has a molecular weight of 265.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one is sourced from PubChem (CID 121368343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).