4,5-difluoro-2,5-dimethylhept-1-ene

C9H16F2 — CID 129028446

IUPAC4,5-difluoro-2,5-dimethylhept-1-ene
SMILESC=C(C)CC(F)C(C)(F)CC
InChIInChI=1S/C9H16F2/c1-5-9(4,11)8(10)6-7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyQCLXOQSQKYSLTH-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.43
Rot. Bonds4

About 4,5-difluoro-2,5-dimethylhept-1-ene

4,5-difluoro-2,5-dimethylhept-1-ene (PubChem CID 129028446) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 4,5-difluoro-2,5-dimethylhept-1-ene.

Molecular Properties

Compound Name4,5-difluoro-2,5-dimethylhept-1-ene
PubChem CID129028446
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name4,5-difluoro-2,5-dimethylhept-1-ene
SMILESC=C(C)CC(F)C(C)(F)CC
InChIInChI=1S/C9H16F2/c1-5-9(4,11)8(10)6-7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyQCLXOQSQKYSLTH-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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 4,5-difluoro-2,5-dimethylhept-1-ene?
The IUPAC name of 4,5-difluoro-2,5-dimethylhept-1-ene (CID 129028446) is 4,5-difluoro-2,5-dimethylhept-1-ene.
What is the SMILES notation for 4,5-difluoro-2,5-dimethylhept-1-ene?
The canonical SMILES for 4,5-difluoro-2,5-dimethylhept-1-ene is C=C(C)CC(F)C(C)(F)CC.
What is the InChIKey of 4,5-difluoro-2,5-dimethylhept-1-ene?
The InChIKey is QCLXOQSQKYSLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-5-9(4,11)8(10)6-7(2)3/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 4,5-difluoro-2,5-dimethylhept-1-ene?
4,5-difluoro-2,5-dimethylhept-1-ene has a molecular weight of 162.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,5-dimethylhept-1-ene is sourced from PubChem (CID 129028446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).