3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene

C10H15FO — CID 129180369

IUPAC3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene
SMILESCOCCC1C=C(F)C(C)=CC1
InChIInChI=1S/C10H15FO/c1-8-3-4-9(5-6-12-2)7-10(8)11/h3,7,9H,4-6H2,1-2H3
InChIKeyWOFPIKFRBFFLMF-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.84
Rot. Bonds3

About 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene

3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene (PubChem CID 129180369) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene
PubChem CID129180369
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene
SMILESCOCCC1C=C(F)C(C)=CC1
InChIInChI=1S/C10H15FO/c1-8-3-4-9(5-6-12-2)7-10(8)11/h3,7,9H,4-6H2,1-2H3
InChIKeyWOFPIKFRBFFLMF-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene (CID 129180369) is 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene is COCCC1C=C(F)C(C)=CC1.
What is the InChIKey of 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene?
The InChIKey is WOFPIKFRBFFLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-8-3-4-9(5-6-12-2)7-10(8)11/h3,7,9H,4-6H2,1-2H3.
What are the key properties of 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene?
3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 129180369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).