(3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone

C9H13F2NOS — CID 154575332

IUPAC(3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CC(F)(F)C1)N1CCSCC1
InChIInChI=1S/C9H13F2NOS/c10-9(11)5-7(6-9)8(13)12-1-3-14-4-2-12/h7H,1-6H2
InChIKeyOSYDSULDNYRXHM-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.61
Rot. Bonds1

About (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone

(3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone (PubChem CID 154575332) has the molecular formula C9H13F2NOS and a molecular weight of 221.27 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone
PubChem CID154575332
Molecular FormulaC9H13F2NOS
Molecular Weight221.27 g/mol
Exact Mass221.07
IUPAC Name(3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CC(F)(F)C1)N1CCSCC1
InChIInChI=1S/C9H13F2NOS/c10-9(11)5-7(6-9)8(13)12-1-3-14-4-2-12/h7H,1-6H2
InChIKeyOSYDSULDNYRXHM-UHFFFAOYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone (CID 154575332) is (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone is O=C(C1CC(F)(F)C1)N1CCSCC1.
What is the InChIKey of (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone?
The InChIKey is OSYDSULDNYRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NOS/c10-9(11)5-7(6-9)8(13)12-1-3-14-4-2-12/h7H,1-6H2.
What are the key properties of (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone?
(3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone has a molecular weight of 221.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 154575332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).