3-(difluoromethyl)hexa-1,5-diene

C7H10F2 — CID 162621161

IUPAC3-(difluoromethyl)hexa-1,5-diene
SMILESC=CCC(C=C)C(F)F
InChIInChI=1S/C7H10F2/c1-3-5-6(4-2)7(8)9/h3-4,6-7H,1-2,5H2
InChIKeyBLZKVGKMPZTAKR-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.63
Rot. Bonds4

About 3-(difluoromethyl)hexa-1,5-diene

3-(difluoromethyl)hexa-1,5-diene (PubChem CID 162621161) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 3-(difluoromethyl)hexa-1,5-diene.

Molecular Properties

Compound Name3-(difluoromethyl)hexa-1,5-diene
PubChem CID162621161
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name3-(difluoromethyl)hexa-1,5-diene
SMILESC=CCC(C=C)C(F)F
InChIInChI=1S/C7H10F2/c1-3-5-6(4-2)7(8)9/h3-4,6-7H,1-2,5H2
InChIKeyBLZKVGKMPZTAKR-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)hexa-1,5-diene?
The IUPAC name of 3-(difluoromethyl)hexa-1,5-diene (CID 162621161) is 3-(difluoromethyl)hexa-1,5-diene.
What is the SMILES notation for 3-(difluoromethyl)hexa-1,5-diene?
The canonical SMILES for 3-(difluoromethyl)hexa-1,5-diene is C=CCC(C=C)C(F)F.
What is the InChIKey of 3-(difluoromethyl)hexa-1,5-diene?
The InChIKey is BLZKVGKMPZTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-3-5-6(4-2)7(8)9/h3-4,6-7H,1-2,5H2.
What are the key properties of 3-(difluoromethyl)hexa-1,5-diene?
3-(difluoromethyl)hexa-1,5-diene has a molecular weight of 132.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)hexa-1,5-diene is sourced from PubChem (CID 162621161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).