1,1-difluorooct-1-ene

C8H14F2 — CID 12517791

IUPAC1,1-difluorooct-1-ene
SMILESCCCCCCC=C(F)F
InChIInChI=1S/C8H14F2/c1-2-3-4-5-6-7-8(9)10/h7H,2-6H2,1H3
InChIKeyYZYRXIMUNRCECU-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.74
Rot. Bonds5

About 1,1-difluorooct-1-ene

1,1-difluorooct-1-ene (PubChem CID 12517791) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,1-difluorooct-1-ene.

Molecular Properties

Compound Name1,1-difluorooct-1-ene
PubChem CID12517791
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,1-difluorooct-1-ene
SMILESCCCCCCC=C(F)F
InChIInChI=1S/C8H14F2/c1-2-3-4-5-6-7-8(9)10/h7H,2-6H2,1H3
InChIKeyYZYRXIMUNRCECU-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluorooct-1-ene?
The IUPAC name of 1,1-difluorooct-1-ene (CID 12517791) is 1,1-difluorooct-1-ene.
What is the SMILES notation for 1,1-difluorooct-1-ene?
The canonical SMILES for 1,1-difluorooct-1-ene is CCCCCCC=C(F)F.
What is the InChIKey of 1,1-difluorooct-1-ene?
The InChIKey is YZYRXIMUNRCECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-2-3-4-5-6-7-8(9)10/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluorooct-1-ene?
1,1-difluorooct-1-ene has a molecular weight of 148.20 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorooct-1-ene is sourced from PubChem (CID 12517791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).