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

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Related Compounds

1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine
CID 126759873
3-(bromomethyl)-4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
CID 131166134
1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
CID 126793833
4-(oxiran-2-ylmethyl)thiomorpholine
CID 43210672
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
CID 126752886
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol
CID 130909227
1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine
CID 165431407
1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine
CID 126845804
1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine
CID 140539824
3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine
CID 130863713
1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 126845803
4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
CID 126790707

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).