4-(fluoromethyl)-2-methylsulfanylbenzamide

C9H10FNOS — CID 91599124

IUPAC4-(fluoromethyl)-2-methylsulfanylbenzamide
SMILESCSc1cc(CF)ccc1C(N)=O
InChIInChI=1S/C9H10FNOS/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyGIRSFQDVOATFRG-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.98
Rot. Bonds3

About 4-(fluoromethyl)-2-methylsulfanylbenzamide

4-(fluoromethyl)-2-methylsulfanylbenzamide (PubChem CID 91599124) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methylsulfanylbenzamide
PubChem CID91599124
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name4-(fluoromethyl)-2-methylsulfanylbenzamide
SMILESCSc1cc(CF)ccc1C(N)=O
InChIInChI=1S/C9H10FNOS/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyGIRSFQDVOATFRG-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methylsulfanylbenzamide?
The IUPAC name of 4-(fluoromethyl)-2-methylsulfanylbenzamide (CID 91599124) is 4-(fluoromethyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for 4-(fluoromethyl)-2-methylsulfanylbenzamide?
The canonical SMILES for 4-(fluoromethyl)-2-methylsulfanylbenzamide is CSc1cc(CF)ccc1C(N)=O.
What is the InChIKey of 4-(fluoromethyl)-2-methylsulfanylbenzamide?
The InChIKey is GIRSFQDVOATFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4H,5H2,1H3,(H2,11,12).
What are the key properties of 4-(fluoromethyl)-2-methylsulfanylbenzamide?
4-(fluoromethyl)-2-methylsulfanylbenzamide has a molecular weight of 199.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 91599124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).