4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene

C9H13FO — CID 70331713

IUPAC4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C=C(F)CC1C
InChIInChI=1S/C9H13FO/c1-6-4-8(10)5-7(2)9(6)11-3/h4,7H,5H2,1-3H3
InChIKeyPBWDRXSYQWZIKY-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.80
Rot. Bonds1

About 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene

4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene (PubChem CID 70331713) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
PubChem CID70331713
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C=C(F)CC1C
InChIInChI=1S/C9H13FO/c1-6-4-8(10)5-7(2)9(6)11-3/h4,7H,5H2,1-3H3
InChIKeyPBWDRXSYQWZIKY-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Cyclohexadiene, 1-methoxy-4-methyl-
CID 10986221
1,3-Cyclohexadiene, 1-methoxy-3-methyl-
CID 12239936
4-Methoxy-1,2-dimethylcyclohexa-1,3-diene
CID 13087975
4-Methoxy-2,6-dimethyl-1,4-cyclohexadiene
CID 143108
1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954
3-Fluoro-1-methoxycyclohexa-1,3-diene
CID 21416452
2-Fluoro-1-methoxycyclohexa-1,3-diene
CID 22611731
1-Methoxy-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137248
1-Methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 53942068
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
1-Fluoro-4-methoxycyclohexa-1,3-diene
CID 68203752

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene (CID 70331713) is 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene is COC1=C(C)C=C(F)CC1C.
What is the InChIKey of 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene?
The InChIKey is PBWDRXSYQWZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-6-4-8(10)5-7(2)9(6)11-3/h4,7H,5H2,1-3H3.
What are the key properties of 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene?
4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 70331713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).