(1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene

C13H16F2O — CID 174245774

IUPAC(1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene
SMILESC=C/C=C(/CC/C=C\C(F)=C\F)C(=C)OC
InChIInChI=1S/C13H16F2O/c1-4-7-12(11(2)16-3)8-5-6-9-13(15)10-14/h4,6-7,9-10H,1-2,5,8H2,3H3/b9-6-,12-7-,13-10-
InChIKeyJUEBSYBAAHGACF-IYHZJWRCSA-N
MW226.27 g/mol
LogP4.38
Rot. Bonds7

About (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene

(1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene (PubChem CID 174245774) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene
PubChem CID174245774
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene
SMILESC=C/C=C(/CC/C=C\C(F)=C\F)C(=C)OC
InChIInChI=1S/C13H16F2O/c1-4-7-12(11(2)16-3)8-5-6-9-13(15)10-14/h4,6-7,9-10H,1-2,5,8H2,3H3/b9-6-,12-7-,13-10-
InChIKeyJUEBSYBAAHGACF-IYHZJWRCSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 54.38
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 (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene?
The IUPAC name of (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene (CID 174245774) is (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene.
What is the SMILES notation for (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene?
The canonical SMILES for (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene is C=C/C=C(/CC/C=C\C(F)=C\F)C(=C)OC.
What is the InChIKey of (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene?
The InChIKey is JUEBSYBAAHGACF-IYHZJWRCSA-N. The full InChI is InChI=1S/C13H16F2O/c1-4-7-12(11(2)16-3)8-5-6-9-13(15)10-14/h4,6-7,9-10H,1-2,5,8H2,3H3/b9-6-,12-7-,13-10-.
What are the key properties of (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene?
(1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene has a molecular weight of 226.27 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene is sourced from PubChem (CID 174245774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).