1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one

C10H16F3NO — CID 116550612

IUPAC1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one
SMILESNC1(C(=O)CCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-4-8(15)9(14)5-2-1-3-6-9/h1-7,14H2
InChIKeyILWZTPRRLRJXAR-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.56
Rot. Bonds3

About 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one

1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one (PubChem CID 116550612) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one
PubChem CID116550612
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one
SMILESNC1(C(=O)CCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-4-8(15)9(14)5-2-1-3-6-9/h1-7,14H2
InChIKeyILWZTPRRLRJXAR-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-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-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116579702
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
1-(1-aminocyclohexyl)-3-methylsulfonylpropan-1-one
CID 116550603
4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one
CID 116569546
1-(1-aminocyclopentyl)-4-methylpent-4-en-1-one
CID 114477891
1-(1-aminocyclopentyl)-3-ethylsulfonylpropan-1-one
CID 106736251
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one
CID 79059282
4,4,4-trifluoro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]butanamide
CID 77099659
1-(1-aminocyclopentyl)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]propan-1-one
CID 147191505

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one (CID 116550612) is 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one is NC1(C(=O)CCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one?
The InChIKey is ILWZTPRRLRJXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)7-4-8(15)9(14)5-2-1-3-6-9/h1-7,14H2.
What are the key properties of 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one?
1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116550612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).