(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide

C25H44F3NO — CID 139365574

IUPAC(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCC1(C(F)(F)F)CCC1
InChIInChI=1S/C25H44F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(30)29-22-21-24(19-17-20-24)25(26,27)28/h9-10H,2-8,11-22H2,1H3,(H,29,30)/b10-9-
InChIKeyQDOUKWUUACCVJE-KTKRTIGZSA-N
MW431.63 g/mol
LogP8.26
Rot. Bonds18

About (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide

(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide (PubChem CID 139365574) has the molecular formula C25H44F3NO and a molecular weight of 431.63 g/mol. Its IUPAC name is (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide
PubChem CID139365574
Molecular FormulaC25H44F3NO
Molecular Weight431.63 g/mol
Exact Mass431.34
IUPAC Name(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCC1(C(F)(F)F)CCC1
InChIInChI=1S/C25H44F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(30)29-22-21-24(19-17-20-24)25(26,27)28/h9-10H,2-8,11-22H2,1H3,(H,29,30)/b10-9-
InChIKeyQDOUKWUUACCVJE-KTKRTIGZSA-N
XLogP8.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.63
LogP ≤ 58.26
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

(+/-)-2,16,16-Trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethyamine
CID 5283438
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283428
(+/-)-2,16,16-Trimethyl-5,8,11,14-all-cis-tricosatetraenoyl-2'-fluoroethylamine
CID 5283439
(+/-)N-(2-fluro-ethyl)-2,17,17-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283441
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283442
(+/-)N-(2-fluro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
CID 5283443
(9Z,12Z)-N-(3,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
CID 162675818
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide
CID 58682994
N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide
CID 72390630
N-[(Z)-4,4-difluoronon-2-enyl]-9,9-dimethyldecanamide
CID 89719689
N-[(Z)-4,4-difluoronon-2-enyl]nonanamide
CID 89722038
(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
CID 118941239

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide (CID 139365574) is (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCC1(C(F)(F)F)CCC1.
What is the InChIKey of (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide?
The InChIKey is QDOUKWUUACCVJE-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H44F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(30)29-22-21-24(19-17-20-24)25(26,27)28/h9-10H,2-8,11-22H2,1H3,(H,29,30)/b10-9-.
What are the key properties of (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide?
(Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide has a molecular weight of 431.63 g/mol, XLogP of 8.26, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[1-(trifluoromethyl)cyclobutyl]ethyl]octadec-9-enamide is sourced from PubChem (CID 139365574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).