(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine

C14H17F2N — CID 166651452

IUPAC(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine
SMILES[H]/N=C/C(=C\C(=C)CF)C(=C)/C=C\C=C(/C)CF
InChIInChI=1S/C14H17F2N/c1-11(8-15)5-4-6-13(3)14(10-17)7-12(2)9-16/h4-7,10,17H,2-3,8-9H2,1H3/b6-4-,11-5+,14-7+,17-10+
InChIKeyODCDGFXEHLUXBW-VCNXOBTASA-N
MW237.29 g/mol
LogP4.12
Rot. Bonds7

About (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine

(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine (PubChem CID 166651452) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine
PubChem CID166651452
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine
SMILES[H]/N=C/C(=C\C(=C)CF)C(=C)/C=C\C=C(/C)CF
InChIInChI=1S/C14H17F2N/c1-11(8-15)5-4-6-13(3)14(10-17)7-12(2)9-16/h4-7,10,17H,2-3,8-9H2,1H3/b6-4-,11-5+,14-7+,17-10+
InChIKeyODCDGFXEHLUXBW-VCNXOBTASA-N
XLogP4.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine?
The IUPAC name of (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine (CID 166651452) is (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine.
What is the SMILES notation for (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine?
The canonical SMILES for (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine is [H]/N=C/C(=C\C(=C)CF)C(=C)/C=C\C=C(/C)CF.
What is the InChIKey of (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine?
The InChIKey is ODCDGFXEHLUXBW-VCNXOBTASA-N. The full InChI is InChI=1S/C14H17F2N/c1-11(8-15)5-4-6-13(3)14(10-17)7-12(2)9-16/h4-7,10,17H,2-3,8-9H2,1H3/b6-4-,11-5+,14-7+,17-10+.
What are the key properties of (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine?
(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine has a molecular weight of 237.29 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine is sourced from PubChem (CID 166651452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).