7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene

C9H11FO — CID 123359462

IUPAC7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC(C)(F)C=CC=C1
InChIInChI=1S/C9H11FO/c1-9(10)6-4-3-5-8(7-9)11-2/h3-7H,1-2H3
InChIKeyDNLYGOPAVHYJIO-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.37
Rot. Bonds1

About 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene

7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene (PubChem CID 123359462) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene
PubChem CID123359462
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC(C)(F)C=CC=C1
InChIInChI=1S/C9H11FO/c1-9(10)6-4-3-5-8(7-9)11-2/h3-7H,1-2H3
InChIKeyDNLYGOPAVHYJIO-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene (CID 123359462) is 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene is COC1=CC(C)(F)C=CC=C1.
What is the InChIKey of 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene?
The InChIKey is DNLYGOPAVHYJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-9(10)6-4-3-5-8(7-9)11-2/h3-7H,1-2H3.
What are the key properties of 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene?
7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene has a molecular weight of 154.18 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 123359462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).