(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene

C14H21F — CID 166995937

IUPAC(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene
SMILESC=C(C)C(/C=C\C)=C(\C)C(=C)C(C)(C)F
InChIInChI=1S/C14H21F/c1-8-9-13(10(2)3)11(4)12(5)14(6,7)15/h8-9H,2,5H2,1,3-4,6-7H3/b9-8-,13-11+
InChIKeyKUSUXUGZVPYCNW-CWXHDNBGSA-N
MW208.32 g/mol
LogP4.76
Rot. Bonds4

About (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene

(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene (PubChem CID 166995937) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene
PubChem CID166995937
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene
SMILESC=C(C)C(/C=C\C)=C(\C)C(=C)C(C)(C)F
InChIInChI=1S/C14H21F/c1-8-9-13(10(2)3)11(4)12(5)14(6,7)15/h8-9H,2,5H2,1,3-4,6-7H3/b9-8-,13-11+
InChIKeyKUSUXUGZVPYCNW-CWXHDNBGSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.76
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 (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene?
The IUPAC name of (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene (CID 166995937) is (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene.
What is the SMILES notation for (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene?
The canonical SMILES for (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene is C=C(C)C(/C=C\C)=C(\C)C(=C)C(C)(C)F.
What is the InChIKey of (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene?
The InChIKey is KUSUXUGZVPYCNW-CWXHDNBGSA-N. The full InChI is InChI=1S/C14H21F/c1-8-9-13(10(2)3)11(4)12(5)14(6,7)15/h8-9H,2,5H2,1,3-4,6-7H3/b9-8-,13-11+.
What are the key properties of (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene?
(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene has a molecular weight of 208.32 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene is sourced from PubChem (CID 166995937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).