(3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene

C13H20F2O — CID 144733894

IUPAC(3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene
SMILESC=C/C(F)=C(/F)C(=C)C(C)OCC(C)CC
InChIInChI=1S/C13H20F2O/c1-6-9(3)8-16-11(5)10(4)13(15)12(14)7-2/h7,9,11H,2,4,6,8H2,1,3,5H3/b13-12-
InChIKeyMLWZQUIFLKUFIA-SEYXRHQNSA-N
MW230.30 g/mol
LogP4.33
Rot. Bonds7

About (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene

(3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene (PubChem CID 144733894) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene
PubChem CID144733894
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene
SMILESC=C/C(F)=C(/F)C(=C)C(C)OCC(C)CC
InChIInChI=1S/C13H20F2O/c1-6-9(3)8-16-11(5)10(4)13(15)12(14)7-2/h7,9,11H,2,4,6,8H2,1,3,5H3/b13-12-
InChIKeyMLWZQUIFLKUFIA-SEYXRHQNSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene?
The IUPAC name of (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene (CID 144733894) is (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene is C=C/C(F)=C(/F)C(=C)C(C)OCC(C)CC.
What is the InChIKey of (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene?
The InChIKey is MLWZQUIFLKUFIA-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H20F2O/c1-6-9(3)8-16-11(5)10(4)13(15)12(14)7-2/h7,9,11H,2,4,6,8H2,1,3,5H3/b13-12-.
What are the key properties of (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene?
(3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene has a molecular weight of 230.30 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-6-(2-methylbutoxy)-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 144733894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).