(2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene

C8H12F2 — CID 89318631

IUPAC(2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene
SMILESCC(=C/C(C)F)/C=C(\C)F
InChIInChI=1S/C8H12F2/c1-6(4-7(2)9)5-8(3)10/h4-5,7H,1-3H3/b6-4-,8-5+
InChIKeyVMNLNXVRJPIMCD-QXMOYCCXSA-N
MW146.18 g/mol
LogP3.16
Rot. Bonds2

About (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene

(2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene (PubChem CID 89318631) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene
PubChem CID89318631
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name(2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene
SMILESCC(=C/C(C)F)/C=C(\C)F
InChIInChI=1S/C8H12F2/c1-6(4-7(2)9)5-8(3)10/h4-5,7H,1-3H3/b6-4-,8-5+
InChIKeyVMNLNXVRJPIMCD-QXMOYCCXSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene (CID 89318631) is (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene is CC(=C/C(C)F)/C=C(\C)F.
What is the InChIKey of (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene?
The InChIKey is VMNLNXVRJPIMCD-QXMOYCCXSA-N. The full InChI is InChI=1S/C8H12F2/c1-6(4-7(2)9)5-8(3)10/h4-5,7H,1-3H3/b6-4-,8-5+.
What are the key properties of (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene?
(2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene has a molecular weight of 146.18 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,6-difluoro-4-methylhepta-2,4-diene is sourced from PubChem (CID 89318631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).