4,4-difluoro-3-methylpenta-1,2-diene

C6H8F2 — CID 143721799

IUPAC4,4-difluoro-3-methylpenta-1,2-diene
SMILESC=C=C(C)C(C)(F)F
InChIInChI=1S/C6H8F2/c1-4-5(2)6(3,7)8/h1H2,2-3H3
InChIKeyZJTGQBGJWGNUDC-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.37
Rot. Bonds1

About 4,4-difluoro-3-methylpenta-1,2-diene

4,4-difluoro-3-methylpenta-1,2-diene (PubChem CID 143721799) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpenta-1,2-diene.

Molecular Properties

Compound Name4,4-difluoro-3-methylpenta-1,2-diene
PubChem CID143721799
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name4,4-difluoro-3-methylpenta-1,2-diene
SMILESC=C=C(C)C(C)(F)F
InChIInChI=1S/C6H8F2/c1-4-5(2)6(3,7)8/h1H2,2-3H3
InChIKeyZJTGQBGJWGNUDC-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpenta-1,2-diene?
The IUPAC name of 4,4-difluoro-3-methylpenta-1,2-diene (CID 143721799) is 4,4-difluoro-3-methylpenta-1,2-diene.
What is the SMILES notation for 4,4-difluoro-3-methylpenta-1,2-diene?
The canonical SMILES for 4,4-difluoro-3-methylpenta-1,2-diene is C=C=C(C)C(C)(F)F.
What is the InChIKey of 4,4-difluoro-3-methylpenta-1,2-diene?
The InChIKey is ZJTGQBGJWGNUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-4-5(2)6(3,7)8/h1H2,2-3H3.
What are the key properties of 4,4-difluoro-3-methylpenta-1,2-diene?
4,4-difluoro-3-methylpenta-1,2-diene has a molecular weight of 118.13 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpenta-1,2-diene is sourced from PubChem (CID 143721799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).