2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene

C9H11FO — CID 173487679

IUPAC2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
SMILESCO/C=C/C1=CCCC=C1F
InChIInChI=1S/C9H11FO/c1-11-7-6-8-4-2-3-5-9(8)10/h4-7H,2-3H2,1H3/b7-6+
InChIKeyGKPZVYKWUNWIPM-VOTSOKGWSA-N
MW154.18 g/mol
LogP2.72
Rot. Bonds2

About 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene

2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene (PubChem CID 173487679) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
PubChem CID173487679
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
SMILESCO/C=C/C1=CCCC=C1F
InChIInChI=1S/C9H11FO/c1-11-7-6-8-4-2-3-5-9(8)10/h4-7H,2-3H2,1H3/b7-6+
InChIKeyGKPZVYKWUNWIPM-VOTSOKGWSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene (CID 173487679) is 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene is CO/C=C/C1=CCCC=C1F.
What is the InChIKey of 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
The InChIKey is GKPZVYKWUNWIPM-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H11FO/c1-11-7-6-8-4-2-3-5-9(8)10/h4-7H,2-3H2,1H3/b7-6+.
What are the key properties of 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene?
2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene has a molecular weight of 154.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene is sourced from PubChem (CID 173487679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).