1,1-difluoroocta-1,3-diene

C8H12F2 — CID 150749668

IUPAC1,1-difluoroocta-1,3-diene
SMILESCCCCC=CC=C(F)F
InChIInChI=1S/C8H12F2/c1-2-3-4-5-6-7-8(9)10/h5-7H,2-4H2,1H3
InChIKeyJVPBSTFIMQGZNR-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.51
Rot. Bonds4

About 1,1-difluoroocta-1,3-diene

1,1-difluoroocta-1,3-diene (PubChem CID 150749668) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1,1-difluoroocta-1,3-diene.

Molecular Properties

Compound Name1,1-difluoroocta-1,3-diene
PubChem CID150749668
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name1,1-difluoroocta-1,3-diene
SMILESCCCCC=CC=C(F)F
InChIInChI=1S/C8H12F2/c1-2-3-4-5-6-7-8(9)10/h5-7H,2-4H2,1H3
InChIKeyJVPBSTFIMQGZNR-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloroocta-1,3-diene;palladium
CID 87090262
(5Z)-dodeca-5,7-dien-5-ol
CID 87161212
2,2-difluoro-3-methyldeca-3,5-diene
CID 123813972
(2E,4Z)-3-fluoronona-2,4-diene;(2E,4Z)-2-fluoroocta-2,4-diene
CID 143078029
(2E,4Z)-N-methyl-N-prop-1-en-2-ylnona-2,4-dien-2-amine
CID 134186425
(1E)-octa-1,3-dien-1-ol
CID 154003406
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
hept-2-enoyl fluoride
CID 162347019
magnesium;(4Z,6E)-undeca-4,6-diene;iodide
CID 170549986

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroocta-1,3-diene?
The IUPAC name of 1,1-difluoroocta-1,3-diene (CID 150749668) is 1,1-difluoroocta-1,3-diene.
What is the SMILES notation for 1,1-difluoroocta-1,3-diene?
The canonical SMILES for 1,1-difluoroocta-1,3-diene is CCCCC=CC=C(F)F.
What is the InChIKey of 1,1-difluoroocta-1,3-diene?
The InChIKey is JVPBSTFIMQGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-2-3-4-5-6-7-8(9)10/h5-7H,2-4H2,1H3.
What are the key properties of 1,1-difluoroocta-1,3-diene?
1,1-difluoroocta-1,3-diene has a molecular weight of 146.18 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroocta-1,3-diene is sourced from PubChem (CID 150749668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).