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

C9H11FO — CID 143108404

IUPAC4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene
SMILESCOC1=C(C)C=C(F)C=CC1
InChIInChI=1S/C9H11FO/c1-7-6-8(10)4-3-5-9(7)11-2/h3-4,6H,5H2,1-2H3
InChIKeyVKHYEUZIUFLIEK-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.72
Rot. Bonds1

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

4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene (PubChem CID 143108404) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene
PubChem CID143108404
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene
SMILESCOC1=C(C)C=C(F)C=CC1
InChIInChI=1S/C9H11FO/c1-7-6-8(10)4-3-5-9(7)11-2/h3-4,6H,5H2,1-2H3
InChIKeyVKHYEUZIUFLIEK-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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Related Compounds

1-Methoxy-1,3,5-cycloheptatriene
CID 150938
1,3,5-Cycloheptatriene, 7-(methoxymethylene)-
CID 639399
8-(Fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
CID 90998043
2-Methoxy-4-(trifluoromethyl)hexa-2,4-diene
CID 123181980
7-Fluoro-2-methoxy-7-methylcyclohepta-1,3,5-triene
CID 123359462
(3Z,5Z)-4-fluoro-3-methoxy-2-methylhepta-1,3,5-triene
CID 126636645
4-Methyl-1-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 126745139
(4E)-7-methyl-4-(trifluoromethoxy)octa-1,4,6-triene
CID 126745211
2-Ethenyl-3-fluoro-5-(2-methoxyethyl)cyclohepta-1,3,5-triene
CID 129180605
(7R)-5-fluoro-3,7-dimethyl-1-propan-2-yloxycyclohepta-1,3,5-triene
CID 130224965
(3Z,5E)-7-fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 134365628
4-Propyl-2-(trifluoromethyl)oxepine
CID 135172323

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene?
The IUPAC name of 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene (CID 143108404) is 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene is COC1=C(C)C=C(F)C=CC1.
What is the InChIKey of 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene?
The InChIKey is VKHYEUZIUFLIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-7-6-8(10)4-3-5-9(7)11-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-fluoro-1-methoxy-2-methylcyclohepta-1,3,5-triene?
4-fluoro-1-methoxy-2-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-1-methoxy-2-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143108404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).