(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide

C26H38F3NO — CID 118941240

IUPAC(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C26H38F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)30-25-20-24(21-25,22-25)26(27,28)29/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,30,31)/b7-6-,10-9-,13-12-,16-15-
InChIKeyDTVKEOROBUVLDZ-DOFZRALJSA-N
MW437.59 g/mol
LogP7.73
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide (PubChem CID 118941240) has the molecular formula C26H38F3NO and a molecular weight of 437.59 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide
PubChem CID118941240
Molecular FormulaC26H38F3NO
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC Name(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C26H38F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)30-25-20-24(21-25,22-25)26(27,28)29/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,30,31)/b7-6-,10-9-,13-12-,16-15-
InChIKeyDTVKEOROBUVLDZ-DOFZRALJSA-N
XLogP7.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

3,3-difluoro-N-[(1S)-1-methylcyclohex-3-en-1-yl]cyclobutane-1-carboxamide
CID 129348514
(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
CID 118941239
3,3-difluoro-N-(1-methylcyclohex-3-en-1-yl)cyclobutane-1-carboxamide
CID 126793943
3,3-difluoro-N-[(1R)-1-methylcyclohex-3-en-1-yl]cyclobutane-1-carboxamide
CID 129348515
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941241
(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941242
(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide
CID 138690570
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 159617979
(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
CID 157422363
(5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 157422364

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide (CID 118941240) is (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is DTVKEOROBUVLDZ-DOFZRALJSA-N. The full InChI is InChI=1S/C26H38F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)30-25-20-24(21-25,22-25)26(27,28)29/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,30,31)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 437.59 g/mol, XLogP of 7.73, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 118941240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).