2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene

C8H11FO — CID 130224498

IUPAC2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=C(C)CC1
InChIInChI=1S/C8H11FO/c1-6-3-4-8(10-2)7(9)5-6/h5H,3-4H2,1-2H3
InChIKeyVHJANVDLFUFHGE-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.55
Rot. Bonds1

About 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene

2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene (PubChem CID 130224498) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene
PubChem CID130224498
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=C(C)CC1
InChIInChI=1S/C8H11FO/c1-6-3-4-8(10-2)7(9)5-6/h5H,3-4H2,1-2H3
InChIKeyVHJANVDLFUFHGE-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene (CID 130224498) is 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene is COC1=C(F)C=C(C)CC1.
What is the InChIKey of 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene?
The InChIKey is VHJANVDLFUFHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-6-3-4-8(10-2)7(9)5-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene?
2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 130224498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).