(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane

C7H5F4NOS — CID 132598581

IUPAC(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C7H5F4NOS/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11/h1-4,12H
InChIKeyVVXFXAJJCRVHEH-UHFFFAOYSA-N
MW227.18 g/mol
LogP2.75
Rot. Bonds1

About (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane

(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane (PubChem CID 132598581) has the molecular formula C7H5F4NOS and a molecular weight of 227.18 g/mol. Its IUPAC name is (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Name(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
PubChem CID132598581
Molecular FormulaC7H5F4NOS
Molecular Weight227.18 g/mol
Exact Mass227.00
IUPAC Name(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C7H5F4NOS/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11/h1-4,12H
InChIKeyVVXFXAJJCRVHEH-UHFFFAOYSA-N
XLogP2.75
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane (CID 132598581) is (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane is [H]N=S(=O)(c1ccccc1F)C(F)(F)F.
What is the InChIKey of (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
The InChIKey is VVXFXAJJCRVHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NOS/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11/h1-4,12H.
What are the key properties of (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane?
(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane has a molecular weight of 227.18 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 132598581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).