(NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine

C10H6F3NOS — CID 118056603

IUPAC(NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc2c(C(F)(F)F)csc2c1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)8-5-16-9-3-6(4-14-15)1-2-7(8)9/h1-5,15H/b14-4+
InChIKeyANUIQVXTIMZICK-LNKIKWGQSA-N
MW245.23 g/mol
LogP3.73
Rot. Bonds1

About (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine

(NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine (PubChem CID 118056603) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine
PubChem CID118056603
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC Name(NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc2c(C(F)(F)F)csc2c1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)8-5-16-9-3-6(4-14-15)1-2-7(8)9/h1-5,15H/b14-4+
InChIKeyANUIQVXTIMZICK-LNKIKWGQSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine (CID 118056603) is (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine is O/N=C/c1ccc2c(C(F)(F)F)csc2c1.
What is the InChIKey of (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine?
The InChIKey is ANUIQVXTIMZICK-LNKIKWGQSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)8-5-16-9-3-6(4-14-15)1-2-7(8)9/h1-5,15H/b14-4+.
What are the key properties of (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine?
(NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine has a molecular weight of 245.23 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidene]hydroxylamine is sourced from PubChem (CID 118056603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).