2-fluoro-1-methylsulfanyl-1-nitrosoethane

C3H6FNOS — CID 54181931

IUPAC2-fluoro-1-methylsulfanyl-1-nitrosoethane
SMILESCSC(CF)N=O
InChIInChI=1S/C3H6FNOS/c1-7-3(2-4)5-6/h3H,2H2,1H3
InChIKeyPCKJGJAKJFVKNW-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.41
Rot. Bonds3

About 2-fluoro-1-methylsulfanyl-1-nitrosoethane

2-fluoro-1-methylsulfanyl-1-nitrosoethane (PubChem CID 54181931) has the molecular formula C3H6FNOS and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-fluoro-1-methylsulfanyl-1-nitrosoethane.

Molecular Properties

Compound Name2-fluoro-1-methylsulfanyl-1-nitrosoethane
PubChem CID54181931
Molecular FormulaC3H6FNOS
Molecular Weight123.15 g/mol
Exact Mass123.02
IUPAC Name2-fluoro-1-methylsulfanyl-1-nitrosoethane
SMILESCSC(CF)N=O
InChIInChI=1S/C3H6FNOS/c1-7-3(2-4)5-6/h3H,2H2,1H3
InChIKeyPCKJGJAKJFVKNW-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylsulfanyl-1-nitrosoethane?
The IUPAC name of 2-fluoro-1-methylsulfanyl-1-nitrosoethane (CID 54181931) is 2-fluoro-1-methylsulfanyl-1-nitrosoethane.
What is the SMILES notation for 2-fluoro-1-methylsulfanyl-1-nitrosoethane?
The canonical SMILES for 2-fluoro-1-methylsulfanyl-1-nitrosoethane is CSC(CF)N=O.
What is the InChIKey of 2-fluoro-1-methylsulfanyl-1-nitrosoethane?
The InChIKey is PCKJGJAKJFVKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNOS/c1-7-3(2-4)5-6/h3H,2H2,1H3.
What are the key properties of 2-fluoro-1-methylsulfanyl-1-nitrosoethane?
2-fluoro-1-methylsulfanyl-1-nitrosoethane has a molecular weight of 123.15 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methylsulfanyl-1-nitrosoethane is sourced from PubChem (CID 54181931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).