2-amino-1-fluoroethanethiol

C2H6FNS — CID 90954039

IUPAC2-amino-1-fluoroethanethiol
SMILESNCC(F)S
InChIInChI=1S/C2H6FNS/c3-2(5)1-4/h2,5H,1,4H2
InChIKeyOQUGRCSKOZDAHI-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.17
Rot. Bonds1

About 2-amino-1-fluoroethanethiol

2-amino-1-fluoroethanethiol (PubChem CID 90954039) has the molecular formula C2H6FNS and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-amino-1-fluoroethanethiol.

Molecular Properties

Compound Name2-amino-1-fluoroethanethiol
PubChem CID90954039
Molecular FormulaC2H6FNS
Molecular Weight95.14 g/mol
Exact Mass95.02
IUPAC Name2-amino-1-fluoroethanethiol
SMILESNCC(F)S
InChIInChI=1S/C2H6FNS/c3-2(5)1-4/h2,5H,1,4H2
InChIKeyOQUGRCSKOZDAHI-UHFFFAOYSA-N
XLogP0.17
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
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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CID 54176224
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CID 137454587
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CID 137454994
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-fluoroethanethiol?
The IUPAC name of 2-amino-1-fluoroethanethiol (CID 90954039) is 2-amino-1-fluoroethanethiol.
What is the SMILES notation for 2-amino-1-fluoroethanethiol?
The canonical SMILES for 2-amino-1-fluoroethanethiol is NCC(F)S.
What is the InChIKey of 2-amino-1-fluoroethanethiol?
The InChIKey is OQUGRCSKOZDAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNS/c3-2(5)1-4/h2,5H,1,4H2.
What are the key properties of 2-amino-1-fluoroethanethiol?
2-amino-1-fluoroethanethiol has a molecular weight of 95.14 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-fluoroethanethiol is sourced from PubChem (CID 90954039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).