(2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene

C14H20ClFO2 — CID 146269570

IUPAC(2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene
SMILESC=C(/C=C\C(F)=C(/C)Cl)/C=C/C(OCC)OCC
InChIInChI=1S/C14H20ClFO2/c1-5-17-14(18-6-2)10-8-11(3)7-9-13(16)12(4)15/h7-10,14H,3,5-6H2,1-2,4H3/b9-7-,10-8+,13-12-
InChIKeySZGWPZYLMPQNTN-WRSDQDOQSA-N
MW274.76 g/mol
LogP4.49
Rot. Bonds8

About (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene

(2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene (PubChem CID 146269570) has the molecular formula C14H20ClFO2 and a molecular weight of 274.76 g/mol. Its IUPAC name is (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene.

Molecular Properties

Compound Name(2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene
PubChem CID146269570
Molecular FormulaC14H20ClFO2
Molecular Weight274.76 g/mol
Exact Mass274.11
IUPAC Name(2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene
SMILESC=C(/C=C\C(F)=C(/C)Cl)/C=C/C(OCC)OCC
InChIInChI=1S/C14H20ClFO2/c1-5-17-14(18-6-2)10-8-11(3)7-9-13(16)12(4)15/h7-10,14H,3,5-6H2,1-2,4H3/b9-7-,10-8+,13-12-
InChIKeySZGWPZYLMPQNTN-WRSDQDOQSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene?
The IUPAC name of (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene (CID 146269570) is (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene.
What is the SMILES notation for (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene?
The canonical SMILES for (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene is C=C(/C=C\C(F)=C(/C)Cl)/C=C/C(OCC)OCC.
What is the InChIKey of (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene?
The InChIKey is SZGWPZYLMPQNTN-WRSDQDOQSA-N. The full InChI is InChI=1S/C14H20ClFO2/c1-5-17-14(18-6-2)10-8-11(3)7-9-13(16)12(4)15/h7-10,14H,3,5-6H2,1-2,4H3/b9-7-,10-8+,13-12-.
What are the key properties of (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene?
(2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene has a molecular weight of 274.76 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene is sourced from PubChem (CID 146269570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).