(Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene

C11H18ClF — CID 167239876

IUPAC(Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene
SMILESC=C(/C(F)=C(/Cl)CCC)C(C)(C)C
InChIInChI=1S/C11H18ClF/c1-6-7-9(12)10(13)8(2)11(3,4)5/h2,6-7H2,1,3-5H3/b10-9-
InChIKeyLCIHAFAZMZDHMW-KTKRTIGZSA-N
MW204.72 g/mol
LogP4.81
Rot. Bonds3

About (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene

(Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene (PubChem CID 167239876) has the molecular formula C11H18ClF and a molecular weight of 204.72 g/mol. Its IUPAC name is (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene.

Molecular Properties

Compound Name(Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene
PubChem CID167239876
Molecular FormulaC11H18ClF
Molecular Weight204.72 g/mol
Exact Mass204.11
IUPAC Name(Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene
SMILESC=C(/C(F)=C(/Cl)CCC)C(C)(C)C
InChIInChI=1S/C11H18ClF/c1-6-7-9(12)10(13)8(2)11(3,4)5/h2,6-7H2,1,3-5H3/b10-9-
InChIKeyLCIHAFAZMZDHMW-KTKRTIGZSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.72
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene?
The IUPAC name of (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene (CID 167239876) is (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene.
What is the SMILES notation for (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene?
The canonical SMILES for (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene is C=C(/C(F)=C(/Cl)CCC)C(C)(C)C.
What is the InChIKey of (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene?
The InChIKey is LCIHAFAZMZDHMW-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H18ClF/c1-6-7-9(12)10(13)8(2)11(3,4)5/h2,6-7H2,1,3-5H3/b10-9-.
What are the key properties of (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene?
(Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene has a molecular weight of 204.72 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene is sourced from PubChem (CID 167239876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).