(2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene

C11H16FI — CID 167100998

IUPAC(2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene
SMILESC=C(/C=C(C)\C=C/C)CC(C)(F)I
InChIInChI=1S/C11H16FI/c1-5-6-9(2)7-10(3)8-11(4,12)13/h5-7H,3,8H2,1-2,4H3/b6-5-,9-7-
InChIKeyFMXVCBZGXZYJOZ-LZWBOMALSA-N
MW294.15 g/mol
LogP4.58
Rot. Bonds4

About (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene

(2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene (PubChem CID 167100998) has the molecular formula C11H16FI and a molecular weight of 294.15 g/mol. Its IUPAC name is (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene
PubChem CID167100998
Molecular FormulaC11H16FI
Molecular Weight294.15 g/mol
Exact Mass294.03
IUPAC Name(2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene
SMILESC=C(/C=C(C)\C=C/C)CC(C)(F)I
InChIInChI=1S/C11H16FI/c1-5-6-9(2)7-10(3)8-11(4,12)13/h5-7H,3,8H2,1-2,4H3/b6-5-,9-7-
InChIKeyFMXVCBZGXZYJOZ-LZWBOMALSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene?
The IUPAC name of (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene (CID 167100998) is (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene.
What is the SMILES notation for (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene?
The canonical SMILES for (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene is C=C(/C=C(C)\C=C/C)CC(C)(F)I.
What is the InChIKey of (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene?
The InChIKey is FMXVCBZGXZYJOZ-LZWBOMALSA-N. The full InChI is InChI=1S/C11H16FI/c1-5-6-9(2)7-10(3)8-11(4,12)13/h5-7H,3,8H2,1-2,4H3/b6-5-,9-7-.
What are the key properties of (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene?
(2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene has a molecular weight of 294.15 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-8-fluoro-8-iodo-4-methyl-6-methylidenenona-2,4-diene is sourced from PubChem (CID 167100998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).