(3Z)-3-(difluoromethyl)penta-1,3-diene

C6H8F2 — CID 12584515

IUPAC(3Z)-3-(difluoromethyl)penta-1,3-diene
SMILESC=C/C(=C/C)C(F)F
InChIInChI=1S/C6H8F2/c1-3-5(4-2)6(7)8/h3-4,6H,1H2,2H3/b5-4-
InChIKeyVGUGFXYXSBVIIF-PLNGDYQASA-N
MW118.13 g/mol
LogP2.38
Rot. Bonds2

About (3Z)-3-(difluoromethyl)penta-1,3-diene

(3Z)-3-(difluoromethyl)penta-1,3-diene (PubChem CID 12584515) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is (3Z)-3-(difluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-(difluoromethyl)penta-1,3-diene
PubChem CID12584515
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(3Z)-3-(difluoromethyl)penta-1,3-diene
SMILESC=C/C(=C/C)C(F)F
InChIInChI=1S/C6H8F2/c1-3-5(4-2)6(7)8/h3-4,6H,1H2,2H3/b5-4-
InChIKeyVGUGFXYXSBVIIF-PLNGDYQASA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-trifluoromethylpentadiene
CID 90166011
3,3-Difluoro-2-methyl-1,4-pentadiene
CID 119098121
(3E)-3-(difluoromethyl)penta-1,3-diene
CID 12584514
(3E)-5,5-difluorohexa-1,3-diene
CID 12757175
(2E)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene
CID 15575053
(2E,4E)-1,1,1-trifluoro-2,3,4-trimethylhexa-2,4-diene
CID 20607797
(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
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(difluoromethyl)penta-1,3-diene?
The IUPAC name of (3Z)-3-(difluoromethyl)penta-1,3-diene (CID 12584515) is (3Z)-3-(difluoromethyl)penta-1,3-diene.
What is the SMILES notation for (3Z)-3-(difluoromethyl)penta-1,3-diene?
The canonical SMILES for (3Z)-3-(difluoromethyl)penta-1,3-diene is C=C/C(=C/C)C(F)F.
What is the InChIKey of (3Z)-3-(difluoromethyl)penta-1,3-diene?
The InChIKey is VGUGFXYXSBVIIF-PLNGDYQASA-N. The full InChI is InChI=1S/C6H8F2/c1-3-5(4-2)6(7)8/h3-4,6H,1H2,2H3/b5-4-.
What are the key properties of (3Z)-3-(difluoromethyl)penta-1,3-diene?
(3Z)-3-(difluoromethyl)penta-1,3-diene has a molecular weight of 118.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(difluoromethyl)penta-1,3-diene is sourced from PubChem (CID 12584515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).