4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine

C9H15F2NS — CID 126793759

IUPAC4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
SMILESFC1(F)CC(CN2CCSCC2)C1
InChIInChI=1S/C9H15F2NS/c10-9(11)5-8(6-9)7-12-1-3-13-4-2-12/h8H,1-7H2
InChIKeyDWQMFKBILBEBRK-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.08
Rot. Bonds2

About 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine

4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine (PubChem CID 126793759) has the molecular formula C9H15F2NS and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
PubChem CID126793759
Molecular FormulaC9H15F2NS
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
SMILESFC1(F)CC(CN2CCSCC2)C1
InChIInChI=1S/C9H15F2NS/c10-9(11)5-8(6-9)7-12-1-3-13-4-2-12/h8H,1-7H2
InChIKeyDWQMFKBILBEBRK-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine (CID 126793759) is 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine is FC1(F)CC(CN2CCSCC2)C1.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine?
The InChIKey is DWQMFKBILBEBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NS/c10-9(11)5-8(6-9)7-12-1-3-13-4-2-12/h8H,1-7H2.
What are the key properties of 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine?
4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine has a molecular weight of 207.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine is sourced from PubChem (CID 126793759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).