(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene

C11H17FO — CID 145367161

IUPAC(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C(=C\C(=C)C(C)(C)C)OC
InChIInChI=1S/C11H17FO/c1-8(11(3,4)5)7-10(13-6)9(2)12/h7H,1-2H2,3-6H3/b10-7+
InChIKeyFACXDOMMBULKLV-JXMROGBWSA-N
MW184.25 g/mol
LogP3.60
Rot. Bonds3

About (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene

(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene (PubChem CID 145367161) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene
PubChem CID145367161
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C(=C\C(=C)C(C)(C)C)OC
InChIInChI=1S/C11H17FO/c1-8(11(3,4)5)7-10(13-6)9(2)12/h7H,1-2H2,3-6H3/b10-7+
InChIKeyFACXDOMMBULKLV-JXMROGBWSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The IUPAC name of (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene (CID 145367161) is (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene is C=C(F)/C(=C\C(=C)C(C)(C)C)OC.
What is the InChIKey of (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The InChIKey is FACXDOMMBULKLV-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17FO/c1-8(11(3,4)5)7-10(13-6)9(2)12/h7H,1-2H2,3-6H3/b10-7+.
What are the key properties of (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene?
(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 145367161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).