(3-fluoroazetidin-1-yl)methanethiol

C4H8FNS — CID 134546086

IUPAC(3-fluoroazetidin-1-yl)methanethiol
SMILESFC1CN(CS)C1
InChIInChI=1S/C4H8FNS/c5-4-1-6(2-4)3-7/h4,7H,1-3H2
InChIKeyQIGXADGKFAQYRI-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.53
Rot. Bonds1

About (3-fluoroazetidin-1-yl)methanethiol

(3-fluoroazetidin-1-yl)methanethiol (PubChem CID 134546086) has the molecular formula C4H8FNS and a molecular weight of 121.18 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)methanethiol.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)methanethiol
PubChem CID134546086
Molecular FormulaC4H8FNS
Molecular Weight121.18 g/mol
Exact Mass121.04
IUPAC Name(3-fluoroazetidin-1-yl)methanethiol
SMILESFC1CN(CS)C1
InChIInChI=1S/C4H8FNS/c5-4-1-6(2-4)3-7/h4,7H,1-3H2
InChIKeyQIGXADGKFAQYRI-UHFFFAOYSA-N
XLogP0.53
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)methanethiol?
The IUPAC name of (3-fluoroazetidin-1-yl)methanethiol (CID 134546086) is (3-fluoroazetidin-1-yl)methanethiol.
What is the SMILES notation for (3-fluoroazetidin-1-yl)methanethiol?
The canonical SMILES for (3-fluoroazetidin-1-yl)methanethiol is FC1CN(CS)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)methanethiol?
The InChIKey is QIGXADGKFAQYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNS/c5-4-1-6(2-4)3-7/h4,7H,1-3H2.
What are the key properties of (3-fluoroazetidin-1-yl)methanethiol?
(3-fluoroazetidin-1-yl)methanethiol has a molecular weight of 121.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)methanethiol is sourced from PubChem (CID 134546086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).