1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene

C8H9FO — CID 161017271

IUPAC1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC(OC)=C(F)C1
InChIInChI=1S/C8H9FO/c1-6-3-4-8(10-2)7(9)5-6/h3-4H,1,5H2,2H3
InChIKeyTXWUCIPCIPSIQB-UHFFFAOYSA-N
MW140.16 g/mol
LogP2.33
Rot. Bonds1

About 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene

1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene (PubChem CID 161017271) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
PubChem CID161017271
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC(OC)=C(F)C1
InChIInChI=1S/C8H9FO/c1-6-3-4-8(10-2)7(9)5-6/h3-4H,1,5H2,2H3
InChIKeyTXWUCIPCIPSIQB-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene (CID 161017271) is 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene is C=C1C=CC(OC)=C(F)C1.
What is the InChIKey of 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
The InChIKey is TXWUCIPCIPSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c1-6-3-4-8(10-2)7(9)5-6/h3-4H,1,5H2,2H3.
What are the key properties of 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene has a molecular weight of 140.16 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 161017271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).