(Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene

C16H25ClF2 — CID 170226962

IUPAC(Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene
SMILESC=C(CC(CCCC)C(C)Cl)C(/C=C\CF)=C(/C)F
InChIInChI=1S/C16H25ClF2/c1-5-6-8-15(13(3)17)11-12(2)16(14(4)19)9-7-10-18/h7,9,13,15H,2,5-6,8,10-11H2,1,3-4H3/b9-7-,16-14-
InChIKeyWOYWZIBHAIQEKC-NAHBKCGDSA-N
MW290.82 g/mol
LogP6.14
Rot. Bonds9

About (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene

(Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene (PubChem CID 170226962) has the molecular formula C16H25ClF2 and a molecular weight of 290.82 g/mol. Its IUPAC name is (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene.

Molecular Properties

Compound Name(Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene
PubChem CID170226962
Molecular FormulaC16H25ClF2
Molecular Weight290.82 g/mol
Exact Mass290.16
IUPAC Name(Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene
SMILESC=C(CC(CCCC)C(C)Cl)C(/C=C\CF)=C(/C)F
InChIInChI=1S/C16H25ClF2/c1-5-6-8-15(13(3)17)11-12(2)16(14(4)19)9-7-10-18/h7,9,13,15H,2,5-6,8,10-11H2,1,3-4H3/b9-7-,16-14-
InChIKeyWOYWZIBHAIQEKC-NAHBKCGDSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.82
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene?
The IUPAC name of (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene (CID 170226962) is (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene.
What is the SMILES notation for (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene?
The canonical SMILES for (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene is C=C(CC(CCCC)C(C)Cl)C(/C=C\CF)=C(/C)F.
What is the InChIKey of (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene?
The InChIKey is WOYWZIBHAIQEKC-NAHBKCGDSA-N. The full InChI is InChI=1S/C16H25ClF2/c1-5-6-8-15(13(3)17)11-12(2)16(14(4)19)9-7-10-18/h7,9,13,15H,2,5-6,8,10-11H2,1,3-4H3/b9-7-,16-14-.
What are the key properties of (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene?
(Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene has a molecular weight of 290.82 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-7-(1-chloroethyl)-1-fluoro-4-(1-fluoroethylidene)-5-methylideneundec-2-ene is sourced from PubChem (CID 170226962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).