1-(3-fluoroazetidin-1-yl)ethanethiol

C5H10FNS — CID 130205321

IUPAC1-(3-fluoroazetidin-1-yl)ethanethiol
SMILESCC(S)N1CC(F)C1
InChIInChI=1S/C5H10FNS/c1-4(8)7-2-5(6)3-7/h4-5,8H,2-3H2,1H3
InChIKeyPKDDHHKRJMCTAV-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.92
Rot. Bonds1

About 1-(3-fluoroazetidin-1-yl)ethanethiol

1-(3-fluoroazetidin-1-yl)ethanethiol (PubChem CID 130205321) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)ethanethiol.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)ethanethiol
PubChem CID130205321
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name1-(3-fluoroazetidin-1-yl)ethanethiol
SMILESCC(S)N1CC(F)C1
InChIInChI=1S/C5H10FNS/c1-4(8)7-2-5(6)3-7/h4-5,8H,2-3H2,1H3
InChIKeyPKDDHHKRJMCTAV-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)ethanethiol?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)ethanethiol (CID 130205321) is 1-(3-fluoroazetidin-1-yl)ethanethiol.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)ethanethiol?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)ethanethiol is CC(S)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)ethanethiol?
The InChIKey is PKDDHHKRJMCTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c1-4(8)7-2-5(6)3-7/h4-5,8H,2-3H2,1H3.
What are the key properties of 1-(3-fluoroazetidin-1-yl)ethanethiol?
1-(3-fluoroazetidin-1-yl)ethanethiol has a molecular weight of 135.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)ethanethiol is sourced from PubChem (CID 130205321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).