1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene

C8H8F2O — CID 123722385

IUPAC1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC(OC)=C(F)C1F
InChIInChI=1S/C8H8F2O/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4,7H,1H2,2H3
InChIKeyNCMJUKUMTSOTIP-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.28
Rot. Bonds1

About 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene

1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene (PubChem CID 123722385) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
PubChem CID123722385
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC(OC)=C(F)C1F
InChIInChI=1S/C8H8F2O/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4,7H,1H2,2H3
InChIKeyNCMJUKUMTSOTIP-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene (CID 123722385) is 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene is C=C1C=CC(OC)=C(F)C1F.
What is the InChIKey of 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
The InChIKey is NCMJUKUMTSOTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4,7H,1H2,2H3.
What are the key properties of 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene?
1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene has a molecular weight of 158.15 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 123722385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).