(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene

C14H16F2O — CID 142297509

IUPAC(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)OC
InChIInChI=1S/C14H16F2O/c1-9(2)7-8-10(3)11(4)13(15)14(16)12(5)17-6/h7-8H,1,3-5H2,2,6H3/b8-7-,14-13-
InChIKeyWSLQNSOISQFCBF-WRKWTSPFSA-N
MW238.28 g/mol
LogP4.54
Rot. Bonds6

About (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene

(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (PubChem CID 142297509) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
PubChem CID142297509
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)OC
InChIInChI=1S/C14H16F2O/c1-9(2)7-8-10(3)11(4)13(15)14(16)12(5)17-6/h7-8H,1,3-5H2,2,6H3/b8-7-,14-13-
InChIKeyWSLQNSOISQFCBF-WRKWTSPFSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 54.54
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'}

Analyze (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene with MolForge

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Related Compounds

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(3Z)-3,4-difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
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CID 89146626
(3Z,5Z)-5-methyl-2-(trifluoromethoxy)hepta-1,3,5-triene
CID 89220895
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
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(2Z,4E)-3-methyl-4-(trifluoromethoxy)hexa-2,4-diene
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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The IUPAC name of (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (CID 142297509) is (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.
What is the SMILES notation for (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The canonical SMILES for (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene is C=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)OC.
What is the InChIKey of (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The InChIKey is WSLQNSOISQFCBF-WRKWTSPFSA-N. The full InChI is InChI=1S/C14H16F2O/c1-9(2)7-8-10(3)11(4)13(15)14(16)12(5)17-6/h7-8H,1,3-5H2,2,6H3/b8-7-,14-13-.
What are the key properties of (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene has a molecular weight of 238.28 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene is sourced from PubChem (CID 142297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).