(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene

C11H17FO — CID 144804642

IUPAC(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C(/C)OC)C(C)C
InChIInChI=1S/C11H17FO/c1-8(2)11(10(4)13-5)7-6-9(3)12/h6-8H,3H2,1-2,4-5H3/b7-6-,11-10-
InChIKeyLSPXTFBDLJFPKY-QOXWLJPHSA-N
MW184.25 g/mol
LogP3.60
Rot. Bonds4

About (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene

(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene (PubChem CID 144804642) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene
PubChem CID144804642
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C(/C)OC)C(C)C
InChIInChI=1S/C11H17FO/c1-8(2)11(10(4)13-5)7-6-9(3)12/h6-8H,3H2,1-2,4-5H3/b7-6-,11-10-
InChIKeyLSPXTFBDLJFPKY-QOXWLJPHSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene (CID 144804642) is (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene is C=C(F)/C=C\C(=C(/C)OC)C(C)C.
What is the InChIKey of (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene?
The InChIKey is LSPXTFBDLJFPKY-QOXWLJPHSA-N. The full InChI is InChI=1S/C11H17FO/c1-8(2)11(10(4)13-5)7-6-9(3)12/h6-8H,3H2,1-2,4-5H3/b7-6-,11-10-.
What are the key properties of (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene?
(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene has a molecular weight of 184.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 144804642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).