4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene

C9H11FO — CID 143108255

IUPAC4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene
SMILESCOC1=C(C)CC=CC(F)=C1
InChIInChI=1S/C9H11FO/c1-7-4-3-5-8(10)6-9(7)11-2/h3,5-6H,4H2,1-2H3
InChIKeyQJZCBOWJIDXIRO-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.72
Rot. Bonds1

About 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene

4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene (PubChem CID 143108255) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene
PubChem CID143108255
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene
SMILESCOC1=C(C)CC=CC(F)=C1
InChIInChI=1S/C9H11FO/c1-7-4-3-5-8(10)6-9(7)11-2/h3,5-6H,4H2,1-2H3
InChIKeyQJZCBOWJIDXIRO-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene?
The IUPAC name of 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene (CID 143108255) is 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene is COC1=C(C)CC=CC(F)=C1.
What is the InChIKey of 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene?
The InChIKey is QJZCBOWJIDXIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-7-4-3-5-8(10)6-9(7)11-2/h3,5-6H,4H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene?
4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene has a molecular weight of 154.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-1-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143108255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).