(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene

C11H17F — CID 166121568

IUPAC(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(C)/C=C(/F)C(=C)C(C)(C)C
InChIInChI=1S/C11H17F/c1-8(2)7-10(12)9(3)11(4,5)6/h7H,1,3H2,2,4-6H3/b10-7+
InChIKeyUZZNZSQJIWPCKY-JXMROGBWSA-N
MW168.25 g/mol
LogP4.02
Rot. Bonds2

About (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene

(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene (PubChem CID 166121568) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene
PubChem CID166121568
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(C)/C=C(/F)C(=C)C(C)(C)C
InChIInChI=1S/C11H17F/c1-8(2)7-10(12)9(3)11(4,5)6/h7H,1,3H2,2,4-6H3/b10-7+
InChIKeyUZZNZSQJIWPCKY-JXMROGBWSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.02
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 (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene?
The IUPAC name of (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene (CID 166121568) is (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene is C=C(C)/C=C(/F)C(=C)C(C)(C)C.
What is the InChIKey of (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene?
The InChIKey is UZZNZSQJIWPCKY-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17F/c1-8(2)7-10(12)9(3)11(4,5)6/h7H,1,3H2,2,4-6H3/b10-7+.
What are the key properties of (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene?
(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene has a molecular weight of 168.25 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 166121568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).