1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene

C9H13FO — CID 178167476

IUPAC1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene
SMILESCCOC1=CC=CC(C)C1F
InChIInChI=1S/C9H13FO/c1-3-11-8-6-4-5-7(2)9(8)10/h4-7,9H,3H2,1-2H3
InChIKeyWHXZAWNNYQVOQY-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.45
Rot. Bonds2

About 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene

1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene (PubChem CID 178167476) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene
PubChem CID178167476
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene
SMILESCCOC1=CC=CC(C)C1F
InChIInChI=1S/C9H13FO/c1-3-11-8-6-4-5-7(2)9(8)10/h4-7,9H,3H2,1-2H3
InChIKeyWHXZAWNNYQVOQY-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyl-5-methyl-5,6-dihydro-(4h)-pyran
CID 91167446
2-Fluoro-1-methoxycyclohexa-1,3-diene
CID 22611731
1-(2,2,2-Trifluoroethoxy)cyclohexa-1,3-diene
CID 23447871
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
(5S)-5-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68330515
(6S)-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68348284
3-Ethyl-2-fluoro-1-methoxy-5,6-dimethylcyclohexa-1,3-diene
CID 68381402
3-Fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
CID 70225784
1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
4-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 70331713
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070306

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene (CID 178167476) is 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene is CCOC1=CC=CC(C)C1F.
What is the InChIKey of 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is WHXZAWNNYQVOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-3-11-8-6-4-5-7(2)9(8)10/h4-7,9H,3H2,1-2H3.
What are the key properties of 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene?
1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-fluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 178167476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).