(3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene

C10H15FO — CID 142402260

IUPAC(3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene
SMILESC=C/C(CC)=C(\C=C)OCCF
InChIInChI=1S/C10H15FO/c1-4-9(5-2)10(6-3)12-8-7-11/h4,6H,1,3,5,7-8H2,2H3/b10-9-
InChIKeyOCKBWRHWFTVUFZ-KTKRTIGZSA-N
MW170.23 g/mol
LogP3.01
Rot. Bonds6

About (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene

(3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene (PubChem CID 142402260) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene
PubChem CID142402260
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene
SMILESC=C/C(CC)=C(\C=C)OCCF
InChIInChI=1S/C10H15FO/c1-4-9(5-2)10(6-3)12-8-7-11/h4,6H,1,3,5,7-8H2,2H3/b10-9-
InChIKeyOCKBWRHWFTVUFZ-KTKRTIGZSA-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': '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)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene?
The IUPAC name of (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene (CID 142402260) is (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene.
What is the SMILES notation for (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene?
The canonical SMILES for (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene is C=C/C(CC)=C(\C=C)OCCF.
What is the InChIKey of (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene?
The InChIKey is OCKBWRHWFTVUFZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H15FO/c1-4-9(5-2)10(6-3)12-8-7-11/h4,6H,1,3,5,7-8H2,2H3/b10-9-.
What are the key properties of (3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene?
(3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-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)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene is sourced from PubChem (CID 142402260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).