(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

C20H22F2O — CID 145418904

IUPAC(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)OC
InChIInChI=1S/C20H22F2O/c1-13(2)9-10-14(3)17(6)19(21)20(22)18(7)15(4)11-12-16(5)23-8/h9-12H,1,3-7H2,2,8H3/b10-9-,12-11-,20-19-
InChIKeyVCOFKWGPNJOPRG-MWIWIWLWSA-N
MW316.39 g/mol
LogP6.21
Rot. Bonds9

About (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (PubChem CID 145418904) has the molecular formula C20H22F2O and a molecular weight of 316.39 g/mol. Its IUPAC name is (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.

Molecular Properties

Compound Name(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
PubChem CID145418904
Molecular FormulaC20H22F2O
Molecular Weight316.39 g/mol
Exact Mass316.16
IUPAC Name(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)OC
InChIInChI=1S/C20H22F2O/c1-13(2)9-10-14(3)17(6)19(21)20(22)18(7)15(4)11-12-16(5)23-8/h9-12H,1,3-7H2,2,8H3/b10-9-,12-11-,20-19-
InChIKeyVCOFKWGPNJOPRG-MWIWIWLWSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The IUPAC name of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (CID 145418904) is (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.
What is the SMILES notation for (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The canonical SMILES for (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is C=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)OC.
What is the InChIKey of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The InChIKey is VCOFKWGPNJOPRG-MWIWIWLWSA-N. The full InChI is InChI=1S/C20H22F2O/c1-13(2)9-10-14(3)17(6)19(21)20(22)18(7)15(4)11-12-16(5)23-8/h9-12H,1,3-7H2,2,8H3/b10-9-,12-11-,20-19-.
What are the key properties of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene has a molecular weight of 316.39 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is sourced from PubChem (CID 145418904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).