fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane

C8H10FNOS — CID 14117219

IUPACfluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
SMILESCN=S(=O)(CF)c1ccccc1
InChIInChI=1S/C8H10FNOS/c1-10-12(11,7-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyWIUATCAPQYYRCZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.07
Rot. Bonds2

About fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane

fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane (PubChem CID 14117219) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane.

Molecular Properties

Compound Namefluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
PubChem CID14117219
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Namefluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
SMILESCN=S(=O)(CF)c1ccccc1
InChIInChI=1S/C8H10FNOS/c1-10-12(11,7-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyWIUATCAPQYYRCZ-UHFFFAOYSA-N
XLogP2.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane?
The IUPAC name of fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane (CID 14117219) is fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane.
What is the SMILES notation for fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane?
The canonical SMILES for fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane is CN=S(=O)(CF)c1ccccc1.
What is the InChIKey of fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane?
The InChIKey is WIUATCAPQYYRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-10-12(11,7-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane?
fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane has a molecular weight of 187.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane is sourced from PubChem (CID 14117219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).