1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one

C11H18F3NO — CID 116579119

IUPAC1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
SMILESNC1(CC(=O)CCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-4-9(16)8-10(15)5-2-1-3-6-10/h1-8,15H2
InChIKeyYRFWLYDKJKHWKI-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.95
Rot. Bonds4

About 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one

1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one (PubChem CID 116579119) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
PubChem CID116579119
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
SMILESNC1(CC(=O)CCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-4-9(16)8-10(15)5-2-1-3-6-10/h1-8,15H2
InChIKeyYRFWLYDKJKHWKI-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one
CID 116550612
1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one
CID 116614424
1-(1-aminocyclohexyl)hept-6-en-2-one
CID 116579053
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935
1-(1-aminocyclohexyl)non-8-en-2-one
CID 107010892
1-(1-aminocyclopentyl)-6-methylheptan-2-one
CID 116578739
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
CID 116578936
1-(2,2,2-trifluoroethyl)cyclooctan-1-amine
CID 130515486
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
CID 116579013
1-(1-aminocyclopentyl)pent-4-en-2-one
CID 116578589
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one (CID 116579119) is 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one is NC1(CC(=O)CCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one?
The InChIKey is YRFWLYDKJKHWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)7-4-9(16)8-10(15)5-2-1-3-6-10/h1-8,15H2.
What are the key properties of 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one?
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 116579119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).