N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide

C23H38F3NO — CID 166889840

IUPACN-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C23H38F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22(28)27-21-17-15-16-20(19-21)23(24,25)26/h15-17,21H,2-14,18-19H2,1H3,(H,27,28)
InChIKeyHYPNQALVOPOCHN-UHFFFAOYSA-N
MW401.56 g/mol
LogP7.40
Rot. Bonds15

About N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide

N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide (PubChem CID 166889840) has the molecular formula C23H38F3NO and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide
PubChem CID166889840
Molecular FormulaC23H38F3NO
Molecular Weight401.56 g/mol
Exact Mass401.29
IUPAC NameN-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C23H38F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22(28)27-21-17-15-16-20(19-21)23(24,25)26/h15-17,21H,2-14,18-19H2,1H3,(H,27,28)
InChIKeyHYPNQALVOPOCHN-UHFFFAOYSA-N
XLogP7.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377
(9Z,12Z)-N-Cyclohexyl-9,12-octadecadienamide
CID 6436114
9,12-Octadecadienamide, N-(1-methylethyl)-, (Z,Z)-
CID 6444518
(Z)-N-cyclohexyloctadec-9-enamide
CID 44558877
(9Z,12Z,15Z)-N-propan-2-yloctadeca-9,12,15-trienamide
CID 53321666
(Z)-N-propan-2-yldocos-13-enamide
CID 53321376
N-cyclohexyloctadeca-9,12-dienamide
CID 71121
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
N-[(Z)-4,4-difluoronon-2-enyl]-9,9-dimethyldecanamide
CID 89719689
N-[(Z)-4,4-difluoronon-2-enyl]nonanamide
CID 89722038
2,2,2-trifluoro-N-[(1S,3Z,5Z)-2-methylidene-8-oxocyclodeca-3,5-dien-1-yl]acetamide
CID 122627035
N-(4,4-difluoronon-2-enyl)nonanamide
CID 123726190

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide?
The IUPAC name of N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide (CID 166889840) is N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide.
What is the SMILES notation for N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide?
The canonical SMILES for N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide?
The InChIKey is HYPNQALVOPOCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22(28)27-21-17-15-16-20(19-21)23(24,25)26/h15-17,21H,2-14,18-19H2,1H3,(H,27,28).
What are the key properties of N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide?
N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide has a molecular weight of 401.56 g/mol, XLogP of 7.40, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hexadecanamide is sourced from PubChem (CID 166889840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).