6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine

C10H13F2NO2S — CID 139995549

IUPAC6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine
SMILESC=CS(=O)(=O)CCC1(F)C=CC=C(F)C1N
InChIInChI=1S/C10H13F2NO2S/c1-2-16(14,15)7-6-10(12)5-3-4-8(11)9(10)13/h2-5,9H,1,6-7,13H2
InChIKeyJNIPRYHBUHKQMV-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.39
Rot. Bonds4

About 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine

6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine (PubChem CID 139995549) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine
PubChem CID139995549
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine
SMILESC=CS(=O)(=O)CCC1(F)C=CC=C(F)C1N
InChIInChI=1S/C10H13F2NO2S/c1-2-16(14,15)7-6-10(12)5-3-4-8(11)9(10)13/h2-5,9H,1,6-7,13H2
InChIKeyJNIPRYHBUHKQMV-UHFFFAOYSA-N
XLogP1.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine
CID 176707607
1-(2-Methylsulfonylethyl)cyclohexa-3,5-diene-1,2-diamine
CID 153952710

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine (CID 139995549) is 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine is C=CS(=O)(=O)CCC1(F)C=CC=C(F)C1N.
What is the InChIKey of 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine?
The InChIKey is JNIPRYHBUHKQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-2-16(14,15)7-6-10(12)5-3-4-8(11)9(10)13/h2-5,9H,1,6-7,13H2.
What are the key properties of 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine?
6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine has a molecular weight of 249.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenylsulfonylethyl)-2,6-difluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139995549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).