(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene

C8H12F2 — CID 144768900

IUPAC(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
SMILESCC/C(C)=C(F)/C=C(\C)F
InChIInChI=1S/C8H12F2/c1-4-6(2)8(10)5-7(3)9/h5H,4H2,1-3H3/b7-5+,8-6-
InChIKeyBHOLSUFUPKAKQM-YMBWGVAGSA-N
MW146.18 g/mol
LogP3.51
Rot. Bonds2

About (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene

(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene (PubChem CID 144768900) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
PubChem CID144768900
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
SMILESCC/C(C)=C(F)/C=C(\C)F
InChIInChI=1S/C8H12F2/c1-4-6(2)8(10)5-7(3)9/h5H,4H2,1-3H3/b7-5+,8-6-
InChIKeyBHOLSUFUPKAKQM-YMBWGVAGSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 123497420
CID 123497420
4-fluoro-5-methylhepta-2,4-diene
CID 123466906
(2E,5Z)-2,5-difluoro-6-methylocta-2,5-diene
CID 142010132
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine
CID 174287104
[(2E,4Z,6Z)-6-fluoro-7-methylnona-2,4,6-trien-2-yl]cyclobutane
CID 118946109
2-fluoro-3-methylpent-2-enoic acid
CID 73188166
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
2,3-dimethylpent-2-ene;propane
CID 162031516
azane;2,3-dimethylpent-2-ene
CID 87285665
(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
CID 88928216

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene (CID 144768900) is (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene is CC/C(C)=C(F)/C=C(\C)F.
What is the InChIKey of (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene?
The InChIKey is BHOLSUFUPKAKQM-YMBWGVAGSA-N. The full InChI is InChI=1S/C8H12F2/c1-4-6(2)8(10)5-7(3)9/h5H,4H2,1-3H3/b7-5+,8-6-.
What are the key properties of (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene?
(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene has a molecular weight of 146.18 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene is sourced from PubChem (CID 144768900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).