(E)-7,7-difluoro-2,6-dimethylhept-3-ene

C9H16F2 — CID 139440730

IUPAC(E)-7,7-difluoro-2,6-dimethylhept-3-ene
SMILESCC(C)/C=C/CC(C)C(F)F
InChIInChI=1S/C9H16F2/c1-7(2)5-4-6-8(3)9(10)11/h4-5,7-9H,6H2,1-3H3/b5-4+
InChIKeyCUZHAIZKBZUSCJ-SNAWJCMRSA-N
MW162.22 g/mol
LogP3.49
Rot. Bonds4

About (E)-7,7-difluoro-2,6-dimethylhept-3-ene

(E)-7,7-difluoro-2,6-dimethylhept-3-ene (PubChem CID 139440730) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is (E)-7,7-difluoro-2,6-dimethylhept-3-ene.

Molecular Properties

Compound Name(E)-7,7-difluoro-2,6-dimethylhept-3-ene
PubChem CID139440730
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name(E)-7,7-difluoro-2,6-dimethylhept-3-ene
SMILESCC(C)/C=C/CC(C)C(F)F
InChIInChI=1S/C9H16F2/c1-7(2)5-4-6-8(3)9(10)11/h4-5,7-9H,6H2,1-3H3/b5-4+
InChIKeyCUZHAIZKBZUSCJ-SNAWJCMRSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.49
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)-7,7-difluoro-2,6-dimethylhept-3-ene?
The IUPAC name of (E)-7,7-difluoro-2,6-dimethylhept-3-ene (CID 139440730) is (E)-7,7-difluoro-2,6-dimethylhept-3-ene.
What is the SMILES notation for (E)-7,7-difluoro-2,6-dimethylhept-3-ene?
The canonical SMILES for (E)-7,7-difluoro-2,6-dimethylhept-3-ene is CC(C)/C=C/CC(C)C(F)F.
What is the InChIKey of (E)-7,7-difluoro-2,6-dimethylhept-3-ene?
The InChIKey is CUZHAIZKBZUSCJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16F2/c1-7(2)5-4-6-8(3)9(10)11/h4-5,7-9H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-7,7-difluoro-2,6-dimethylhept-3-ene?
(E)-7,7-difluoro-2,6-dimethylhept-3-ene has a molecular weight of 162.22 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-difluoro-2,6-dimethylhept-3-ene is sourced from PubChem (CID 139440730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).