(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone

C8H12FNOS — CID 130626212

IUPAC(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone
SMILESO=C(C1CCCS1)N1CC(F)C1
InChIInChI=1S/C8H12FNOS/c9-6-4-10(5-6)8(11)7-2-1-3-12-7/h6-7H,1-5H2
InChIKeyXNPQVAKMYUESSY-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.06
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone

(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone (PubChem CID 130626212) has the molecular formula C8H12FNOS and a molecular weight of 189.25 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone
PubChem CID130626212
Molecular FormulaC8H12FNOS
Molecular Weight189.25 g/mol
Exact Mass189.06
IUPAC Name(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone
SMILESO=C(C1CCCS1)N1CC(F)C1
InChIInChI=1S/C8H12FNOS/c9-6-4-10(5-6)8(11)7-2-1-3-12-7/h6-7H,1-5H2
InChIKeyXNPQVAKMYUESSY-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-aminocyclopropyl)azetidin-1-yl]-(thiolan-2-yl)methanone
CID 166265757
(3-bromopiperidin-1-yl)-(thiolan-2-yl)methanone
CID 80661060
[3-(bromomethyl)azetidin-1-yl]-(thian-2-yl)methanone
CID 130531474
piperidin-1-yl(thian-2-yl)methanone
CID 80596392
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 80553846
[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
CID 119560753
(4-bromo-3-methylpiperidin-1-yl)-(thiolan-2-yl)methanone
CID 114683554
[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
CID 119423169
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(thian-2-yl)methanone
CID 113414698
[3-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595802
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiolan-2-yl)methanone
CID 79040739
[3-(aminomethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595887

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone (CID 130626212) is (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone is O=C(C1CCCS1)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone?
The InChIKey is XNPQVAKMYUESSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNOS/c9-6-4-10(5-6)8(11)7-2-1-3-12-7/h6-7H,1-5H2.
What are the key properties of (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone?
(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone has a molecular weight of 189.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 130626212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).