(2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene

C19H34F2O — CID 145144165

IUPAC(2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene
SMILESCCCCCC(CC)CCC/C(=C/C=C(\CF)OCC)CF
InChIInChI=1S/C19H34F2O/c1-4-7-8-10-17(5-2)11-9-12-18(15-20)13-14-19(16-21)22-6-3/h13-14,17H,4-12,15-16H2,1-3H3/b18-13-,19-14+
InChIKeyNSGGKEFFKCCFJL-HJGWPUIUSA-N
MW316.48 g/mol
LogP6.55
Rot. Bonds14

About (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene

(2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene (PubChem CID 145144165) has the molecular formula C19H34F2O and a molecular weight of 316.48 g/mol. Its IUPAC name is (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene
PubChem CID145144165
Molecular FormulaC19H34F2O
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name(2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene
SMILESCCCCCC(CC)CCC/C(=C/C=C(\CF)OCC)CF
InChIInChI=1S/C19H34F2O/c1-4-7-8-10-17(5-2)11-9-12-18(15-20)13-14-19(16-21)22-6-3/h13-14,17H,4-12,15-16H2,1-3H3/b18-13-,19-14+
InChIKeyNSGGKEFFKCCFJL-HJGWPUIUSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2Z,4Z)-1-(4-ethenylcyclohexyl)-2,3-difluorohepta-2,4-dien-4-yl]-4-(methoxymethylidene)cyclohexane
CID 88953247
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
(3S,5R)-3-butyl-1-ethoxy-5-ethyl-2-[(4R)-4-fluorocyclohexen-1-yl]cyclohexene
CID 118018547
(1Z,3E,5E,7E,9E)-11-butyl-10-ethenyl-3-ethoxy-1,2-difluoro-14-methylpentadeca-1,3,5,7,9-pentaene
CID 126727542
1-butyl-4-[(3Z,5E)-6-ethoxy-2,7-difluorohepta-1,3,5-trien-3-yl]cyclohexane
CID 134375159
5-[(3E,6Z,8E,9E)-9-ethyl-8-ethylidene-1-fluoro-10-methoxy-2,6-dimethylundeca-3,6,9-trien-4-yl]-1-methylcyclohexa-1,3-diene
CID 135295017
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
CID 143772369
(3Z,7Z,11E)-2-butoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772417
(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene
CID 143772470
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11-tetraene
CID 143772475
(3Z,7Z,11E)-2-ethoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772534
(3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene
CID 143772599

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene?
The IUPAC name of (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene (CID 145144165) is (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene.
What is the SMILES notation for (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene?
The canonical SMILES for (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene is CCCCCC(CC)CCC/C(=C/C=C(\CF)OCC)CF.
What is the InChIKey of (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene?
The InChIKey is NSGGKEFFKCCFJL-HJGWPUIUSA-N. The full InChI is InChI=1S/C19H34F2O/c1-4-7-8-10-17(5-2)11-9-12-18(15-20)13-14-19(16-21)22-6-3/h13-14,17H,4-12,15-16H2,1-3H3/b18-13-,19-14+.
What are the key properties of (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene?
(2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene has a molecular weight of 316.48 g/mol, XLogP of 6.55, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethoxy-9-ethyl-1-fluoro-5-(fluoromethyl)tetradeca-2,4-diene is sourced from PubChem (CID 145144165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).