(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone

C8H11F2NOS — CID 130744138

IUPAC(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone
SMILESO=C(C1CCSC1)N1CC(F)(F)C1
InChIInChI=1S/C8H11F2NOS/c9-8(10)4-11(5-8)7(12)6-1-2-13-3-6/h6H,1-5H2
InChIKeyVNCVUJNISBZOGT-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.22
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone

(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone (PubChem CID 130744138) has the molecular formula C8H11F2NOS and a molecular weight of 207.24 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone
PubChem CID130744138
Molecular FormulaC8H11F2NOS
Molecular Weight207.24 g/mol
Exact Mass207.05
IUPAC Name(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone
SMILESO=C(C1CCSC1)N1CC(F)(F)C1
InChIInChI=1S/C8H11F2NOS/c9-8(10)4-11(5-8)7(12)6-1-2-13-3-6/h6H,1-5H2
InChIKeyVNCVUJNISBZOGT-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-(thiolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 106982802
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
CID 112627314
[4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone
CID 115304651
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(thiolan-3-yl)methanone
CID 80666150
azepan-1-yl(thian-4-yl)methanone
CID 110856329
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
[2-(chloromethyl)azepan-1-yl]-(thiolan-3-yl)methanone
CID 116639039
cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 130890914
(4-benzylpiperidin-1-yl)-(thiolan-3-yl)methanone
CID 110855778
2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
CID 131204231
cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone
CID 126853096
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
CID 120819844

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone (CID 130744138) is (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone is O=C(C1CCSC1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone?
The InChIKey is VNCVUJNISBZOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c9-8(10)4-11(5-8)7(12)6-1-2-13-3-6/h6H,1-5H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone has a molecular weight of 207.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 130744138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).