(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene

C10H15FO — CID 118190307

IUPAC(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene
SMILESC=C/C=C(/F)CC(=C)COCC
InChIInChI=1S/C10H15FO/c1-4-6-10(11)7-9(3)8-12-5-2/h4,6H,1,3,5,7-8H2,2H3/b10-6+
InChIKeySTNSDFLXZPLVQH-UXBLZVDNSA-N
MW170.23 g/mol
LogP3.01
Rot. Bonds6

About (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene

(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene (PubChem CID 118190307) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene.

Molecular Properties

Compound Name(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene
PubChem CID118190307
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene
SMILESC=C/C=C(/F)CC(=C)COCC
InChIInChI=1S/C10H15FO/c1-4-6-10(11)7-9(3)8-12-5-2/h4,6H,1,3,5,7-8H2,2H3/b10-6+
InChIKeySTNSDFLXZPLVQH-UXBLZVDNSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
(3E)-4-fluorohexa-1,3-diene
CID 88586520
buta-1,3-diene;ethoxyethane
CID 18964357
ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene
CID 154661218
ethoxyethane;fluoroethene
CID 87329841
1,1-diethoxybuta-1,3-diene
CID 19609197
(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
CID 143959035
ethoxyethane;2-methylprop-1-ene
CID 19913928
ethoxyethane;prop-1-ene
CID 22712887
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene
CID 103065980

Frequently Asked Questions

What is the IUPAC name of (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene?
The IUPAC name of (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene (CID 118190307) is (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene.
What is the SMILES notation for (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene?
The canonical SMILES for (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene is C=C/C=C(/F)CC(=C)COCC.
What is the InChIKey of (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene?
The InChIKey is STNSDFLXZPLVQH-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H15FO/c1-4-6-10(11)7-9(3)8-12-5-2/h4,6H,1,3,5,7-8H2,2H3/b10-6+.
What are the key properties of (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene?
(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene has a molecular weight of 170.23 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene is sourced from PubChem (CID 118190307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).