(3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene

C10H15FO2 — CID 169135905

IUPAC(3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene
SMILESC=C(F)/C=C(/OCCOC)C(=C)C
InChIInChI=1S/C10H15FO2/c1-8(2)10(7-9(3)11)13-6-5-12-4/h7H,1,3,5-6H2,2,4H3/b10-7+
InChIKeyNGLTYIYKZARYTH-JXMROGBWSA-N
MW186.23 g/mol
LogP2.59
Rot. Bonds6

About (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene

(3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene (PubChem CID 169135905) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene
PubChem CID169135905
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name(3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene
SMILESC=C(F)/C=C(/OCCOC)C(=C)C
InChIInChI=1S/C10H15FO2/c1-8(2)10(7-9(3)11)13-6-5-12-4/h7H,1,3,5-6H2,2,4H3/b10-7+
InChIKeyNGLTYIYKZARYTH-JXMROGBWSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(Fluoromethyl)-2-(2-methoxyethoxy)-4-methylhepta-2,4-diene
CID 123194918
2-Fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 123272230
2-(5-Fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol
CID 123684854
2-(1-Fluoroethoxy)-5-methylhexa-1,3,5-triene
CID 123750418
3-Fluoro-5-methoxy-2-methylhepta-1,3,5-triene
CID 123797230
4-Fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene
CID 123911803
3-(Difluoromethoxy)-2-methoxy-6-(methoxymethyl)octa-1,3,5-triene
CID 123937559
(3Z,5Z)-4-fluoro-3-methoxy-2-methylhepta-1,3,5-triene
CID 126636645
(7S)-5-ethoxy-1-fluoro-3,7-dimethylcyclohepta-1,3,5-triene
CID 130224323
(3E,5E)-5-ethoxy-4-fluoro-2-methylhepta-1,3,5-triene
CID 142047068
(3E)-3-fluoro-5-methyl-2-(3-methylbut-2-enoxy)hexa-1,3,5-triene
CID 142089088
(3E)-3-ethyl-4-(2-fluoroethoxy)hexa-1,3,5-triene
CID 142402260

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene?
The IUPAC name of (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene (CID 169135905) is (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene.
What is the SMILES notation for (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene?
The canonical SMILES for (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene is C=C(F)/C=C(/OCCOC)C(=C)C.
What is the InChIKey of (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene?
The InChIKey is NGLTYIYKZARYTH-JXMROGBWSA-N. The full InChI is InChI=1S/C10H15FO2/c1-8(2)10(7-9(3)11)13-6-5-12-4/h7H,1,3,5-6H2,2,4H3/b10-7+.
What are the key properties of (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene?
(3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene has a molecular weight of 186.23 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-(2-methoxyethoxy)-2-methylhexa-1,3,5-triene is sourced from PubChem (CID 169135905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).