4,4-difluoro-5-methylhex-1-ene

C7H12F2 — CID 20782681

IUPAC4,4-difluoro-5-methylhex-1-ene
SMILESC=CCC(F)(F)C(C)C
InChIInChI=1S/C7H12F2/c1-4-5-7(8,9)6(2)3/h4,6H,1,5H2,2-3H3
InChIKeyIJYBITUGQIMBHT-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.85
Rot. Bonds3

About 4,4-difluoro-5-methylhex-1-ene

4,4-difluoro-5-methylhex-1-ene (PubChem CID 20782681) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 4,4-difluoro-5-methylhex-1-ene.

Molecular Properties

Compound Name4,4-difluoro-5-methylhex-1-ene
PubChem CID20782681
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name4,4-difluoro-5-methylhex-1-ene
SMILESC=CCC(F)(F)C(C)C
InChIInChI=1S/C7H12F2/c1-4-5-7(8,9)6(2)3/h4,6H,1,5H2,2-3H3
InChIKeyIJYBITUGQIMBHT-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Related Compounds

5-Methyl-1-hexene
CID 77058
3-Methyl-1-hexene
CID 18848
4,4-Difluoro-3-methylcyclopentene
CID 12757174
4,4-Difluoro-3-methylbut-1-ene
CID 14092767
3,3-Difluoro-5-methylcyclopentene
CID 12757173
5-Fluoro-4-fluoromethyl-pent-1-ene
CID 57512913
5,5,5-Trifluoro-2,4-dimethylpent-1-ene
CID 13379970
5,5-Difluorohex-1-ene
CID 15828064
4,4-Difluorohex-1-ene
CID 53942788
3-(Trifluoromethyl)hexa-1,5-diene
CID 146887881
5,5-Difluoro-3-methylhex-1-ene
CID 162542517
3-(Difluoromethyl)hexa-1,5-diene
CID 162621161

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-methylhex-1-ene?
The IUPAC name of 4,4-difluoro-5-methylhex-1-ene (CID 20782681) is 4,4-difluoro-5-methylhex-1-ene.
What is the SMILES notation for 4,4-difluoro-5-methylhex-1-ene?
The canonical SMILES for 4,4-difluoro-5-methylhex-1-ene is C=CCC(F)(F)C(C)C.
What is the InChIKey of 4,4-difluoro-5-methylhex-1-ene?
The InChIKey is IJYBITUGQIMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-4-5-7(8,9)6(2)3/h4,6H,1,5H2,2-3H3.
What are the key properties of 4,4-difluoro-5-methylhex-1-ene?
4,4-difluoro-5-methylhex-1-ene has a molecular weight of 134.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-methylhex-1-ene is sourced from PubChem (CID 20782681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).