(E)-4,4-difluoro-5-methylhex-2-ene

C7H12F2 — CID 147993318

IUPAC(E)-4,4-difluoro-5-methylhex-2-ene
SMILESC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C7H12F2/c1-4-5-7(8,9)6(2)3/h4-6H,1-3H3/b5-4+
InChIKeyIVMYJOPADFACBP-SNAWJCMRSA-N
MW134.17 g/mol
LogP2.85
Rot. Bonds2

About (E)-4,4-difluoro-5-methylhex-2-ene

(E)-4,4-difluoro-5-methylhex-2-ene (PubChem CID 147993318) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is (E)-4,4-difluoro-5-methylhex-2-ene.

Molecular Properties

Compound Name(E)-4,4-difluoro-5-methylhex-2-ene
PubChem CID147993318
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name(E)-4,4-difluoro-5-methylhex-2-ene
SMILESC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C7H12F2/c1-4-5-7(8,9)6(2)3/h4-6H,1-3H3/b5-4+
InChIKeyIVMYJOPADFACBP-SNAWJCMRSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-difluoro-5-methylhex-2-ene?
The IUPAC name of (E)-4,4-difluoro-5-methylhex-2-ene (CID 147993318) is (E)-4,4-difluoro-5-methylhex-2-ene.
What is the SMILES notation for (E)-4,4-difluoro-5-methylhex-2-ene?
The canonical SMILES for (E)-4,4-difluoro-5-methylhex-2-ene is C/C=C/C(F)(F)C(C)C.
What is the InChIKey of (E)-4,4-difluoro-5-methylhex-2-ene?
The InChIKey is IVMYJOPADFACBP-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12F2/c1-4-5-7(8,9)6(2)3/h4-6H,1-3H3/b5-4+.
What are the key properties of (E)-4,4-difluoro-5-methylhex-2-ene?
(E)-4,4-difluoro-5-methylhex-2-ene has a molecular weight of 134.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluoro-5-methylhex-2-ene is sourced from PubChem (CID 147993318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).