(3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene

C10H11FO — CID 137397173

IUPAC(3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene
SMILESC#CCOCC(=C)/C=C\C(=C)F
InChIInChI=1S/C10H11FO/c1-4-7-12-8-9(2)5-6-10(3)11/h1,5-6H,2-3,7-8H2/b6-5-
InChIKeyOBOQOOSHQJUDIG-WAYWQWQTSA-N
MW166.19 g/mol
LogP2.23
Rot. Bonds5

About (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene

(3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene (PubChem CID 137397173) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene
PubChem CID137397173
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name(3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene
SMILESC#CCOCC(=C)/C=C\C(=C)F
InChIInChI=1S/C10H11FO/c1-4-7-12-8-9(2)5-6-10(3)11/h1,5-6H,2-3,7-8H2/b6-5-
InChIKeyOBOQOOSHQJUDIG-WAYWQWQTSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene?
The IUPAC name of (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene (CID 137397173) is (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene is C#CCOCC(=C)/C=C\C(=C)F.
What is the InChIKey of (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene?
The InChIKey is OBOQOOSHQJUDIG-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H11FO/c1-4-7-12-8-9(2)5-6-10(3)11/h1,5-6H,2-3,7-8H2/b6-5-.
What are the key properties of (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene?
(3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene has a molecular weight of 166.19 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-fluoro-5-(prop-2-ynoxymethyl)hexa-1,3,5-triene is sourced from PubChem (CID 137397173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).