3-fluoro-1-methoxycyclohexa-1,3-diene

C7H9FO — CID 21416452

IUPAC3-fluoro-1-methoxycyclohexa-1,3-diene
SMILESCOC1=CC(F)=CCC1
InChIInChI=1S/C7H9FO/c1-9-7-4-2-3-6(8)5-7/h3,5H,2,4H2,1H3
InChIKeySYPPBXOFEFGPRK-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.16
Rot. Bonds1

About 3-fluoro-1-methoxycyclohexa-1,3-diene

3-fluoro-1-methoxycyclohexa-1,3-diene (PubChem CID 21416452) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-fluoro-1-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-1-methoxycyclohexa-1,3-diene
PubChem CID21416452
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name3-fluoro-1-methoxycyclohexa-1,3-diene
SMILESCOC1=CC(F)=CCC1
InChIInChI=1S/C7H9FO/c1-9-7-4-2-3-6(8)5-7/h3,5H,2,4H2,1H3
InChIKeySYPPBXOFEFGPRK-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxycyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-1-methoxycyclohexa-1,3-diene (CID 21416452) is 3-fluoro-1-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-1-methoxycyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-1-methoxycyclohexa-1,3-diene is COC1=CC(F)=CCC1.
What is the InChIKey of 3-fluoro-1-methoxycyclohexa-1,3-diene?
The InChIKey is SYPPBXOFEFGPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-9-7-4-2-3-6(8)5-7/h3,5H,2,4H2,1H3.
What are the key properties of 3-fluoro-1-methoxycyclohexa-1,3-diene?
3-fluoro-1-methoxycyclohexa-1,3-diene has a molecular weight of 128.15 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 21416452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).