(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene

C8H10F2 — CID 142945501

IUPAC(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
SMILESC=C(/C=C(/F)C(=C)F)CC
InChIInChI=1S/C8H10F2/c1-4-6(2)5-8(10)7(3)9/h5H,2-4H2,1H3/b8-5+
InChIKeyDHZFSPAPUQCJTB-VMPITWQZSA-N
MW144.16 g/mol
LogP3.29
Rot. Bonds3

About (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene

(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene (PubChem CID 142945501) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
PubChem CID142945501
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
SMILESC=C(/C=C(/F)C(=C)F)CC
InChIInChI=1S/C8H10F2/c1-4-6(2)5-8(10)7(3)9/h5H,2-4H2,1H3/b8-5+
InChIKeyDHZFSPAPUQCJTB-VMPITWQZSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 53.29
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

(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
CID 143383113
(E)-4-methylidenehex-2-ene-1,2-diol
CID 88543439
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
3-methylidenepent-1-ene
CID 18850
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
2-methyl-4-methylidenehex-2-enamide
CID 123970755
(E)-2-ethenyl-4-methylidenehex-2-enal
CID 142874155
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196

Frequently Asked Questions

What is the IUPAC name of (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene?
The IUPAC name of (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene (CID 142945501) is (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene is C=C(/C=C(/F)C(=C)F)CC.
What is the InChIKey of (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene?
The InChIKey is DHZFSPAPUQCJTB-VMPITWQZSA-N. The full InChI is InChI=1S/C8H10F2/c1-4-6(2)5-8(10)7(3)9/h5H,2-4H2,1H3/b8-5+.
What are the key properties of (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene?
(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene has a molecular weight of 144.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,3-difluoro-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 142945501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).