2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene

C8H10F4 — CID 22157760

IUPAC2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene
SMILESCC(C)=CC=C(C(F)F)C(F)F
InChIInChI=1S/C8H10F4/c1-5(2)3-4-6(7(9)10)8(11)12/h3-4,7-8H,1-2H3
InChIKeyWJUBBUUEZPOAGH-UHFFFAOYSA-N
MW182.16 g/mol
LogP3.41
Rot. Bonds3

About 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene

2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene (PubChem CID 22157760) has the molecular formula C8H10F4 and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene
PubChem CID22157760
Molecular FormulaC8H10F4
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene
SMILESCC(C)=CC=C(C(F)F)C(F)F
InChIInChI=1S/C8H10F4/c1-5(2)3-4-6(7(9)10)8(11)12/h3-4,7-8H,1-2H3
InChIKeyWJUBBUUEZPOAGH-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2,5-dimethylhexa-2,4-diene
CID 13397637
1,1,1-Trifluoro-2-(trifluoromethyl)-5-methyl-2,4-hexadiene
CID 15191144
(2E)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene
CID 15575053
(2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene
CID 22157762
(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene
CID 22239089
1,1-Difluoro-4-methylpenta-1,3-diene
CID 22239159
(2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene
CID 22564685
1,1,1-Trifluoro-2-methylhexa-2,4-diene
CID 53715758
1,1,1-Trifluoro-5-methylhexa-2,4-diene
CID 53773309
1-Chloro-2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene
CID 53811636
2-(Difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene
CID 53835717
1,1,1-Trifluoro-2,5-dimethylhexa-2,4-diene
CID 54464488

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene?
The IUPAC name of 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene (CID 22157760) is 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene.
What is the SMILES notation for 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene?
The canonical SMILES for 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene is CC(C)=CC=C(C(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene?
The InChIKey is WJUBBUUEZPOAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4/c1-5(2)3-4-6(7(9)10)8(11)12/h3-4,7-8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene?
2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene has a molecular weight of 182.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1-difluoro-5-methylhexa-2,4-diene is sourced from PubChem (CID 22157760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).