2-ethoxy-5-fluorocyclohexa-1,3-diene

C8H11FO — CID 143106657

IUPAC2-ethoxy-5-fluorocyclohexa-1,3-diene
SMILESCCOC1=CCC(F)C=C1
InChIInChI=1S/C8H11FO/c1-2-10-8-5-3-7(9)4-6-8/h3,5-7H,2,4H2,1H3
InChIKeyVGOFOYRVCSWWLC-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.20
Rot. Bonds2

About 2-ethoxy-5-fluorocyclohexa-1,3-diene

2-ethoxy-5-fluorocyclohexa-1,3-diene (PubChem CID 143106657) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-ethoxy-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethoxy-5-fluorocyclohexa-1,3-diene
PubChem CID143106657
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-ethoxy-5-fluorocyclohexa-1,3-diene
SMILESCCOC1=CCC(F)C=C1
InChIInChI=1S/C8H11FO/c1-2-10-8-5-3-7(9)4-6-8/h3,5-7H,2,4H2,1H3
InChIKeyVGOFOYRVCSWWLC-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-1,3-cyclohexadiene
CID 141599
Dimethoxycyclohexadiene
CID 14358150
2,6-Dimethyl-pyran
CID 18671207
2-Methyl-2H-pyran
CID 18757414
5,6-dimethyl-2H-pyran
CID 54229426
6-prop-2-enyl-2H-pyran
CID 56617402
(r)-2-Methylpyran
CID 154339592
2-Isopropoxy-1,3-cyclohexadiene
CID 145330
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
2-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,3-diene
CID 18427019
5-Fluoro-5-methoxycyclohexa-1,3-diene
CID 18445624
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
CID 20427195

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-ethoxy-5-fluorocyclohexa-1,3-diene (CID 143106657) is 2-ethoxy-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-ethoxy-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-ethoxy-5-fluorocyclohexa-1,3-diene is CCOC1=CCC(F)C=C1.
What is the InChIKey of 2-ethoxy-5-fluorocyclohexa-1,3-diene?
The InChIKey is VGOFOYRVCSWWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-2-10-8-5-3-7(9)4-6-8/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-ethoxy-5-fluorocyclohexa-1,3-diene?
2-ethoxy-5-fluorocyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 143106657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).