3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene

C8H11FO — CID 173018074

IUPAC3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CC(F)=CCC1
InChIInChI=1S/C8H11FO/c1-10-6-7-3-2-4-8(9)5-7/h4-5H,2-3,6H2,1H3
InChIKeyPWKVWUKLOCCGGQ-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.21
Rot. Bonds2

About 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene

3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 173018074) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID173018074
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1=CC(F)=CCC1
InChIInChI=1S/C8H11FO/c1-10-6-7-3-2-4-8(9)5-7/h4-5H,2-3,6H2,1H3
InChIKeyPWKVWUKLOCCGGQ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-1-(methoxymethyl)cyclohexa-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 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene (CID 173018074) is 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene is COCC1=CC(F)=CCC1.
What is the InChIKey of 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is PWKVWUKLOCCGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-10-6-7-3-2-4-8(9)5-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene?
3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 142.17 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 173018074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).