5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene

C8H11FO — CID 143108388

IUPAC5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene
SMILESCOC1=C(C)CC(F)C=C1
InChIInChI=1S/C8H11FO/c1-6-5-7(9)3-4-8(6)10-2/h3-4,7H,5H2,1-2H3
InChIKeyHXTZXOXBCXYCRH-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.20
Rot. Bonds1

About 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene

5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene (PubChem CID 143108388) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene
PubChem CID143108388
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene
SMILESCOC1=C(C)CC(F)C=C1
InChIInChI=1S/C8H11FO/c1-6-5-7(9)3-4-8(6)10-2/h3-4,7H,5H2,1-2H3
InChIKeyHXTZXOXBCXYCRH-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene (CID 143108388) is 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene is COC1=C(C)CC(F)C=C1.
What is the InChIKey of 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene?
The InChIKey is HXTZXOXBCXYCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-6-5-7(9)3-4-8(6)10-2/h3-4,7H,5H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene?
5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143108388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).