6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid

C14H22F3NO3 — CID 78979666

IUPAC6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)11-6-4-5-10(9-11)13(21)18-8-3-1-2-7-12(19)20/h10-11H,1-9H2,(H,18,21)(H,19,20)
InChIKeyUJTCAWMBUMUUBA-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.12
Rot. Bonds7

About 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid

6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid (PubChem CID 78979666) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
PubChem CID78979666
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)11-6-4-5-10(9-11)13(21)18-8-3-1-2-7-12(19)20/h10-11H,1-9H2,(H,18,21)(H,19,20)
InChIKeyUJTCAWMBUMUUBA-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103918890
N-(6-iodohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848037
N-(4-chlorobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106845327
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103861947
N-(4-bromopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106131544
N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119507185
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid (CID 78979666) is 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid?
The InChIKey is UJTCAWMBUMUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c15-14(16,17)11-6-4-5-10(9-11)13(21)18-8-3-1-2-7-12(19)20/h10-11H,1-9H2,(H,18,21)(H,19,20).
What are the key properties of 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid?
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid has a molecular weight of 309.33 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 78979666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).