(3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene

C10H15FO — CID 154650133

IUPAC(3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C(=C\C=C/C)OC(C)F
InChIInChI=1S/C10H15FO/c1-5-6-7-10(8(2)3)12-9(4)11/h5-7,9H,2H2,1,3-4H3/b6-5-,10-7+
InChIKeyAOHUMRBAJBYMND-ZZWPSLBBSA-N
MW170.23 g/mol
LogP3.35
Rot. Bonds4

About (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene

(3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene (PubChem CID 154650133) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene
PubChem CID154650133
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C(=C\C=C/C)OC(C)F
InChIInChI=1S/C10H15FO/c1-5-6-7-10(8(2)3)12-9(4)11/h5-7,9H,2H2,1,3-4H3/b6-5-,10-7+
InChIKeyAOHUMRBAJBYMND-ZZWPSLBBSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.35
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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Related Compounds

5,6-dimethyl-2H-pyran
CID 54229426
(3E)-4-fluoro-2,6-dimethyl-5-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 88053607
Lithium 1-ethoxy-3-(trifluoromethyl)benzene-2-ide
CID 88361979
(3Z)-3,4-difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
CID 88565170
2-(2-Fluoroethoxy)-5-methylcyclohexa-1,3-diene
CID 88574758
(3Z,5Z)-3-chloro-4-(2-fluoroethoxy)octa-1,3,5-triene
CID 88860273
1-Ethoxy-4,5-difluoro-6-methylidenecyclohexa-1,3-diene
CID 89020439
7-Fluoro-2-methoxycyclohepta-1,3,5-triene
CID 89116901
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
CID 89312914
(3E,5Z)-7-fluoro-4-(3-methoxypropoxy)-2-methylocta-3,5-diene
CID 89318766
2-Ethoxy-1-fluorocyclohexa-1,3-diene
CID 89812511

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene (CID 154650133) is (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene is C=C(C)/C(=C\C=C/C)OC(C)F.
What is the InChIKey of (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene?
The InChIKey is AOHUMRBAJBYMND-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H15FO/c1-5-6-7-10(8(2)3)12-9(4)11/h5-7,9H,2H2,1,3-4H3/b6-5-,10-7+.
What are the key properties of (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene?
(3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene has a molecular weight of 170.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-(1-fluoroethoxy)-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 154650133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).