(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide

C24H40F3NO — CID 118941239

IUPAC(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C24H40F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)28-23-18-22(19-23,20-23)24(25,26)27/h9-10H,2-8,11-20H2,1H3,(H,28,29)/b10-9-
InChIKeyDSWKSYXGIDXFJC-KTKRTIGZSA-N
MW415.58 g/mol
LogP7.63
Rot. Bonds16

About (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide

(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide (PubChem CID 118941239) has the molecular formula C24H40F3NO and a molecular weight of 415.58 g/mol. Its IUPAC name is (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
PubChem CID118941239
Molecular FormulaC24H40F3NO
Molecular Weight415.58 g/mol
Exact Mass415.31
IUPAC Name(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C24H40F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)28-23-18-22(19-23,20-23)24(25,26)27/h9-10H,2-8,11-20H2,1H3,(H,28,29)/b10-9-
InChIKeyDSWKSYXGIDXFJC-KTKRTIGZSA-N
XLogP7.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.63
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'}

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Related Compounds

(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide
CID 118941240
(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide
CID 139365574
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941241
(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;bis((5Z,8Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide);(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
CID 157422362
(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 (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide (CID 118941239) is (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide?
The InChIKey is DSWKSYXGIDXFJC-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H40F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)28-23-18-22(19-23,20-23)24(25,26)27/h9-10H,2-8,11-20H2,1H3,(H,28,29)/b10-9-.
What are the key properties of (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide?
(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide has a molecular weight of 415.58 g/mol, XLogP of 7.63, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide is sourced from PubChem (CID 118941239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).