(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride

C12H16F2 — CID 143773200

IUPAC(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
SMILESC=C(/C=C\C(=C)C(=C)C(=C)F)CC.F
InChIInChI=1S/C12H15F.FH/c1-6-9(2)7-8-10(3)11(4)12(5)13;/h7-8H,2-6H2,1H3;1H/b8-7-;
InChIKeyPSSFJWNYKBHVDI-CFYXSCKTSA-N
MW198.26 g/mol
LogP4.26
Rot. Bonds5

About (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride

(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride (PubChem CID 143773200) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride.

Molecular Properties

Compound Name(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
PubChem CID143773200
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
SMILESC=C(/C=C\C(=C)C(=C)C(=C)F)CC.F
InChIInChI=1S/C12H15F.FH/c1-6-9(2)7-8-10(3)11(4)12(5)13;/h7-8H,2-6H2,1H3;1H/b8-7-;
InChIKeyPSSFJWNYKBHVDI-CFYXSCKTSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.26
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

(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
(5Z)-2-fluoro-10-methyl-3,4,7,8-tetramethylideneundeca-1,5,9-triene
CID 143773264
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145122159
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
(4Z,8Z,12Z)-8-ethyl-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;N-methyl-N-methylsulfanylmethanamine;propane
CID 145235020

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride?
The IUPAC name of (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride (CID 143773200) is (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride.
What is the SMILES notation for (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride?
The canonical SMILES for (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride is C=C(/C=C\C(=C)C(=C)C(=C)F)CC.F.
What is the InChIKey of (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride?
The InChIKey is PSSFJWNYKBHVDI-CFYXSCKTSA-N. The full InChI is InChI=1S/C12H15F.FH/c1-6-9(2)7-8-10(3)11(4)12(5)13;/h7-8H,2-6H2,1H3;1H/b8-7-;.
What are the key properties of (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride?
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride has a molecular weight of 198.26 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride is sourced from PubChem (CID 143773200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).