6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid

C15H24F3NO3 — CID 59927995

IUPAC6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid
SMILESCN(C(=O)C(F)(F)F)C(CCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C15H24F3NO3/c1-19(14(22)15(16,17)18)12(9-5-6-10-13(20)21)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyFOSNYWNWEAYKKL-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.60
Rot. Bonds7

About 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid

6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid (PubChem CID 59927995) has the molecular formula C15H24F3NO3 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid
PubChem CID59927995
Molecular FormulaC15H24F3NO3
Molecular Weight323.36 g/mol
Exact Mass323.17
IUPAC Name6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid
SMILESCN(C(=O)C(F)(F)F)C(CCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C15H24F3NO3/c1-19(14(22)15(16,17)18)12(9-5-6-10-13(20)21)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyFOSNYWNWEAYKKL-UHFFFAOYSA-N
XLogP3.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235594
3-[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]propanoic acid
CID 81928282
4-(5,5-Difluoropentyl)piperidine-1,2-dicarboxylic acid
CID 21076063
Tert-butyl 2-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetate
CID 58398150
3,3,3-Trifluoro-2-[[1-(3-oxopentanoyl)piperidin-2-yl]methyl]propanoic acid
CID 59675987
6-[Bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid
CID 59927998
2-((4,4-Difluorocyclohexyl)methyl)-1-(methoxycarbonyl)piperidine-4-carboxylic acid
CID 66731611
2-[(4,4-Difluorocyclohexyl)methyl]piperidine-1,4-dicarboxylic acid
CID 66734682
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
CID 121438663
2-[4-[(3,3,3-Trifluoro-2,2-dimethylpropanoyl)amino]cyclohexyl]acetic acid
CID 121438785
Ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate
CID 121438820
4-Methyl-2-[methyl-[2-(2,2,2-trifluoroethyl)nonanoyl]amino]pentanoic acid
CID 138478625

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid?
The IUPAC name of 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid (CID 59927995) is 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid?
The canonical SMILES for 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid is CN(C(=O)C(F)(F)F)C(CCCCC(=O)O)C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid?
The InChIKey is FOSNYWNWEAYKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO3/c1-19(14(22)15(16,17)18)12(9-5-6-10-13(20)21)11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,20,21).
What are the key properties of 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid?
6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid has a molecular weight of 323.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoic acid is sourced from PubChem (CID 59927995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).