4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine

C10H13F2NO3S — CID 173250684

IUPAC4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)C1(F)C=CC(F)=CC1
InChIInChI=1S/C10H13F2NO3S/c11-9-1-3-10(12,4-2-9)17(14,15)13-5-7-16-8-6-13/h1-3H,4-8H2
InChIKeyPJQPHJSHYWQVDB-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.13
Rot. Bonds2

About 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine

4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine (PubChem CID 173250684) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine
PubChem CID173250684
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)C1(F)C=CC(F)=CC1
InChIInChI=1S/C10H13F2NO3S/c11-9-1-3-10(12,4-2-9)17(14,15)13-5-7-16-8-6-13/h1-3H,4-8H2
InChIKeyPJQPHJSHYWQVDB-UHFFFAOYSA-N
XLogP1.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine?
The IUPAC name of 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine (CID 173250684) is 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine?
The canonical SMILES for 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine is O=S(=O)(N1CCOCC1)C1(F)C=CC(F)=CC1.
What is the InChIKey of 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine?
The InChIKey is PJQPHJSHYWQVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c11-9-1-3-10(12,4-2-9)17(14,15)13-5-7-16-8-6-13/h1-3H,4-8H2.
What are the key properties of 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine?
4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine has a molecular weight of 265.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-difluorocyclohexa-2,4-dien-1-yl)sulfonylmorpholine is sourced from PubChem (CID 173250684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).