benzamide;trifluoro(methylsulfanyl)methane

C9H10F3NOS — CID 167473170

IUPACbenzamide;trifluoro(methylsulfanyl)methane
SMILESCSC(F)(F)F.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C2H3F3S/c8-7(9)6-4-2-1-3-5-6;1-6-2(3,4)5/h1-5H,(H2,8,9);1H3
InChIKeyAAEIRRXRUOLWPY-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.65
Rot. Bonds1

About benzamide;trifluoro(methylsulfanyl)methane

benzamide;trifluoro(methylsulfanyl)methane (PubChem CID 167473170) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is benzamide;trifluoro(methylsulfanyl)methane.

Molecular Properties

Compound Namebenzamide;trifluoro(methylsulfanyl)methane
PubChem CID167473170
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Namebenzamide;trifluoro(methylsulfanyl)methane
SMILESCSC(F)(F)F.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C2H3F3S/c8-7(9)6-4-2-1-3-5-6;1-6-2(3,4)5/h1-5H,(H2,8,9);1H3
InChIKeyAAEIRRXRUOLWPY-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzamide;trifluoro(methylsulfanyl)methane?
The IUPAC name of benzamide;trifluoro(methylsulfanyl)methane (CID 167473170) is benzamide;trifluoro(methylsulfanyl)methane.
What is the SMILES notation for benzamide;trifluoro(methylsulfanyl)methane?
The canonical SMILES for benzamide;trifluoro(methylsulfanyl)methane is CSC(F)(F)F.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;trifluoro(methylsulfanyl)methane?
The InChIKey is AAEIRRXRUOLWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H3F3S/c8-7(9)6-4-2-1-3-5-6;1-6-2(3,4)5/h1-5H,(H2,8,9);1H3.
What are the key properties of benzamide;trifluoro(methylsulfanyl)methane?
benzamide;trifluoro(methylsulfanyl)methane has a molecular weight of 237.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;trifluoro(methylsulfanyl)methane is sourced from PubChem (CID 167473170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).