5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene

C7H8FNO — CID 89153609

IUPAC5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene
SMILESO=NC1=CC=CC(CF)C1
InChIInChI=1S/C7H8FNO/c8-5-6-2-1-3-7(4-6)9-10/h1-3,6H,4-5H2
InChIKeyZGQPNOARVFRNOG-UHFFFAOYSA-N
MW141.15 g/mol
LogP2.18
Rot. Bonds2

About 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene

5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene (PubChem CID 89153609) has the molecular formula C7H8FNO and a molecular weight of 141.15 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene
PubChem CID89153609
Molecular FormulaC7H8FNO
Molecular Weight141.15 g/mol
Exact Mass141.06
IUPAC Name5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene
SMILESO=NC1=CC=CC(CF)C1
InChIInChI=1S/C7H8FNO/c8-5-6-2-1-3-7(4-6)9-10/h1-3,6H,4-5H2
InChIKeyZGQPNOARVFRNOG-UHFFFAOYSA-N
XLogP2.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene?
The IUPAC name of 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene (CID 89153609) is 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene.
What is the SMILES notation for 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene?
The canonical SMILES for 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene is O=NC1=CC=CC(CF)C1.
What is the InChIKey of 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene?
The InChIKey is ZGQPNOARVFRNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-5-6-2-1-3-7(4-6)9-10/h1-3,6H,4-5H2.
What are the key properties of 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene?
5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene has a molecular weight of 141.15 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1-nitrosocyclohexa-1,3-diene is sourced from PubChem (CID 89153609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).