3,3-difluorohexa-1,5-diene

C6H8F2 — CID 90930184

IUPAC3,3-difluorohexa-1,5-diene
SMILESC=CCC(F)(F)C=C
InChIInChI=1S/C6H8F2/c1-3-5-6(7,8)4-2/h3-4H,1-2,5H2
InChIKeyBLVOBZFNCGXQNY-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.38
Rot. Bonds3

About 3,3-difluorohexa-1,5-diene

3,3-difluorohexa-1,5-diene (PubChem CID 90930184) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 3,3-difluorohexa-1,5-diene.

Molecular Properties

Compound Name3,3-difluorohexa-1,5-diene
PubChem CID90930184
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name3,3-difluorohexa-1,5-diene
SMILESC=CCC(F)(F)C=C
InChIInChI=1S/C6H8F2/c1-3-5-6(7,8)4-2/h3-4H,1-2,5H2
InChIKeyBLVOBZFNCGXQNY-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.38
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

3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene
CID 88552258
azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
3,3,3-trifluoroprop-1-ene
CID 90915807
5-fluoro-4,4-bis(fluoromethyl)pent-1-ene
CID 57192744
1,1,1,2,3,3-hexafluorohex-5-en-2-ol
CID 23508681
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridec-1-ene
CID 11249951
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
5-fluoro-5-iodo-4,4-dimethylhex-1-ene
CID 166107161
2-fluoro-2-prop-2-enylpentane-1,5-diol
CID 146607254
bis(4-ethenylhepta-1,6-dien-4-yl)tin
CID 173002899

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorohexa-1,5-diene?
The IUPAC name of 3,3-difluorohexa-1,5-diene (CID 90930184) is 3,3-difluorohexa-1,5-diene.
What is the SMILES notation for 3,3-difluorohexa-1,5-diene?
The canonical SMILES for 3,3-difluorohexa-1,5-diene is C=CCC(F)(F)C=C.
What is the InChIKey of 3,3-difluorohexa-1,5-diene?
The InChIKey is BLVOBZFNCGXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-3-5-6(7,8)4-2/h3-4H,1-2,5H2.
What are the key properties of 3,3-difluorohexa-1,5-diene?
3,3-difluorohexa-1,5-diene has a molecular weight of 118.13 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorohexa-1,5-diene is sourced from PubChem (CID 90930184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).