(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene

C10H19FO — CID 139376314

IUPAC(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene
SMILESC/C=C\[C@H](COC)C[C@H](F)CC
InChIInChI=1S/C10H19FO/c1-4-6-9(8-12-3)7-10(11)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-/t9-,10+/m0/s1
InChIKeyXDRNKJSYBUQBOD-RRAVTNDYSA-N
MW174.26 g/mol
LogP2.96
Rot. Bonds6

About (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene

(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene (PubChem CID 139376314) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene.

Molecular Properties

Compound Name(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene
PubChem CID139376314
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene
SMILESC/C=C\[C@H](COC)C[C@H](F)CC
InChIInChI=1S/C10H19FO/c1-4-6-9(8-12-3)7-10(11)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-/t9-,10+/m0/s1
InChIKeyXDRNKJSYBUQBOD-RRAVTNDYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene?
The IUPAC name of (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene (CID 139376314) is (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene.
What is the SMILES notation for (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene?
The canonical SMILES for (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene is C/C=C\[C@H](COC)C[C@H](F)CC.
What is the InChIKey of (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene?
The InChIKey is XDRNKJSYBUQBOD-RRAVTNDYSA-N. The full InChI is InChI=1S/C10H19FO/c1-4-6-9(8-12-3)7-10(11)5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-/t9-,10+/m0/s1.
What are the key properties of (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene?
(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene has a molecular weight of 174.26 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene is sourced from PubChem (CID 139376314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).