(2,6-difluorophenyl)-thiomorpholin-4-ylmethanone

C11H11F2NOS — CID 2804979

IUPAC(2,6-difluorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1c(F)cccc1F)N1CCSCC1
InChIInChI=1S/C11H11F2NOS/c12-8-2-1-3-9(13)10(8)11(15)14-4-6-16-7-5-14/h1-3H,4-7H2
InChIKeyTWWOFABCYQCWRY-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.15
Rot. Bonds1

About (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone

(2,6-difluorophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 2804979) has the molecular formula C11H11F2NOS and a molecular weight of 243.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-thiomorpholin-4-ylmethanone
PubChem CID2804979
Molecular FormulaC11H11F2NOS
Molecular Weight243.28 g/mol
Exact Mass243.05
IUPAC Name(2,6-difluorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1c(F)cccc1F)N1CCSCC1
InChIInChI=1S/C11H11F2NOS/c12-8-2-1-3-9(13)10(8)11(15)14-4-6-16-7-5-14/h1-3H,4-7H2
InChIKeyTWWOFABCYQCWRY-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone (CID 2804979) is (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone is O=C(c1c(F)cccc1F)N1CCSCC1.
What is the InChIKey of (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is TWWOFABCYQCWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NOS/c12-8-2-1-3-9(13)10(8)11(15)14-4-6-16-7-5-14/h1-3H,4-7H2.
What are the key properties of (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone?
(2,6-difluorophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 243.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 2804979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).