N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine

C7H6F4N2O2S — CID 144921521

IUPACN-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
SMILESON(SNF)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F4N2O2S/c8-7(9,10)15-6-3-1-5(2-4-6)13(14)16-12-11/h1-4,12,14H
InChIKeySQCQMDPTLDWWOZ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.82
Rot. Bonds4

About N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine

N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine (PubChem CID 144921521) has the molecular formula C7H6F4N2O2S and a molecular weight of 258.20 g/mol. Its IUPAC name is N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
PubChem CID144921521
Molecular FormulaC7H6F4N2O2S
Molecular Weight258.20 g/mol
Exact Mass258.01
IUPAC NameN-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
SMILESON(SNF)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H6F4N2O2S/c8-7(9,10)15-6-3-1-5(2-4-6)13(14)16-12-11/h1-4,12,14H
InChIKeySQCQMDPTLDWWOZ-UHFFFAOYSA-N
XLogP2.82
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
The IUPAC name of N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine (CID 144921521) is N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine.
What is the SMILES notation for N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
The canonical SMILES for N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine is ON(SNF)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
The InChIKey is SQCQMDPTLDWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2S/c8-7(9,10)15-6-3-1-5(2-4-6)13(14)16-12-11/h1-4,12,14H.
What are the key properties of N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine?
N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine has a molecular weight of 258.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine is sourced from PubChem (CID 144921521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).