5-fluoro-5-methylsulfanylcyclohexa-1,3-diene

C7H9FS — CID 154420391

IUPAC5-fluoro-5-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1(F)C=CC=CC1
InChIInChI=1S/C7H9FS/c1-9-7(8)5-3-2-4-6-7/h2-5H,6H2,1H3
InChIKeyQMBFHVFCUYOQJH-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.53
Rot. Bonds1

About 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene

5-fluoro-5-methylsulfanylcyclohexa-1,3-diene (PubChem CID 154420391) has the molecular formula C7H9FS and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-5-methylsulfanylcyclohexa-1,3-diene
PubChem CID154420391
Molecular FormulaC7H9FS
Molecular Weight144.21 g/mol
Exact Mass144.04
IUPAC Name5-fluoro-5-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1(F)C=CC=CC1
InChIInChI=1S/C7H9FS/c1-9-7(8)5-3-2-4-6-7/h2-5H,6H2,1H3
InChIKeyQMBFHVFCUYOQJH-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene (CID 154420391) is 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene is CSC1(F)C=CC=CC1.
What is the InChIKey of 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is QMBFHVFCUYOQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FS/c1-9-7(8)5-3-2-4-6-7/h2-5H,6H2,1H3.
What are the key properties of 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene?
5-fluoro-5-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 144.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 154420391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).