6,6-difluorohex-1-ene

C6H10F2 — CID 10796733

IUPAC6,6-difluorohex-1-ene
SMILESC=CCCCC(F)F
InChIInChI=1S/C6H10F2/c1-2-3-4-5-6(7)8/h2,6H,1,3-5H2
InChIKeyFFKBIWLJTSNHMZ-UHFFFAOYSA-N
MW120.14 g/mol
LogP2.61
Rot. Bonds4

About 6,6-difluorohex-1-ene

6,6-difluorohex-1-ene (PubChem CID 10796733) has the molecular formula C6H10F2 and a molecular weight of 120.14 g/mol. Its IUPAC name is 6,6-difluorohex-1-ene.

Molecular Properties

Compound Name6,6-difluorohex-1-ene
PubChem CID10796733
Molecular FormulaC6H10F2
Molecular Weight120.14 g/mol
Exact Mass120.08
IUPAC Name6,6-difluorohex-1-ene
SMILESC=CCCCC(F)F
InChIInChI=1S/C6H10F2/c1-2-3-4-5-6(7)8/h2,6H,1,3-5H2
InChIKeyFFKBIWLJTSNHMZ-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.14
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluorohex-1-ene?
The IUPAC name of 6,6-difluorohex-1-ene (CID 10796733) is 6,6-difluorohex-1-ene.
What is the SMILES notation for 6,6-difluorohex-1-ene?
The canonical SMILES for 6,6-difluorohex-1-ene is C=CCCCC(F)F.
What is the InChIKey of 6,6-difluorohex-1-ene?
The InChIKey is FFKBIWLJTSNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2/c1-2-3-4-5-6(7)8/h2,6H,1,3-5H2.
What are the key properties of 6,6-difluorohex-1-ene?
6,6-difluorohex-1-ene has a molecular weight of 120.14 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorohex-1-ene is sourced from PubChem (CID 10796733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).