(7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene

C21H30F4O — CID 144809455

IUPAC(7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)C(F)(F)C(F)(F)C(=C)OCC
InChIInChI=1S/C21H30F4O/c1-9-26-19(8)21(24,25)20(22,23)18(7)17(6)13-12-16(5)15(4)11-10-14(2)3/h12-15H,5-11H2,1-4H3/b13-12-
InChIKeyRXZGUBJVOGUTMW-SEYXRHQNSA-N
MW374.46 g/mol
LogP7.10
Rot. Bonds12

About (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene

(7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene (PubChem CID 144809455) has the molecular formula C21H30F4O and a molecular weight of 374.46 g/mol. Its IUPAC name is (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene.

Molecular Properties

Compound Name(7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene
PubChem CID144809455
Molecular FormulaC21H30F4O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name(7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)C(F)(F)C(F)(F)C(=C)OCC
InChIInChI=1S/C21H30F4O/c1-9-26-19(8)21(24,25)20(22,23)18(7)17(6)13-12-16(5)15(4)11-10-14(2)3/h12-15H,5-11H2,1-4H3/b13-12-
InChIKeyRXZGUBJVOGUTMW-SEYXRHQNSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
CID 21522013
1-Fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
CID 54024531
1-Ethoxy-5,5,6,6-tetrafluoro-4-(4-pentylcyclohexyl)cyclohexa-1,3-diene
CID 121476164
1-(4-Ethenylcyclohexyl)-4-ethoxy-5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 121476167
5-(4-Ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-2-propyloxane
CID 121476177
2-[2-(4-Ethoxy-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)ethyl]-5-propyloxane
CID 121476191
5-[2-(4-Ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)ethyl]-2-propyloxane
CID 121476192
1-Ethyl-5,5,6,6-tetrafluoro-4-[(4-propylcyclohexyl)methoxy]cyclohexa-1,3-diene
CID 121476215
1-Ethoxy-4-[4-(4-ethylcyclohexyl)butyl]-5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 121476221
5,5,6,6-Tetrafluoro-1-propyl-4-[3-(4-propylcyclohexyl)propoxy]cyclohexa-1,3-diene
CID 121476228
1-Ethyl-5-methyl-4-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene
CID 129166796
2-Fluoro-1-propan-2-yl-4-(5,5,5-trifluoropentoxy)cyclohexa-1,3-diene
CID 129166829

Frequently Asked Questions

What is the IUPAC name of (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene?
The IUPAC name of (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene (CID 144809455) is (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene.
What is the SMILES notation for (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene?
The canonical SMILES for (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)C(F)(F)C(F)(F)C(=C)OCC.
What is the InChIKey of (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene?
The InChIKey is RXZGUBJVOGUTMW-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H30F4O/c1-9-26-19(8)21(24,25)20(22,23)18(7)17(6)13-12-16(5)15(4)11-10-14(2)3/h12-15H,5-11H2,1-4H3/b13-12-.
What are the key properties of (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene?
(7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene has a molecular weight of 374.46 g/mol, XLogP of 7.10, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene is sourced from PubChem (CID 144809455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).