N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine

C16H11F3N2O — CID 176652794

IUPACN-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine
SMILESON=Cc1cn(-c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-5-7-13(8-6-12)21-10-11(9-20-22)14-3-1-2-4-15(14)21/h1-10,22H
InChIKeyOGXHBJDUUFUMOG-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.46
Rot. Bonds2

About N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine

N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine (PubChem CID 176652794) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine
PubChem CID176652794
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC NameN-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine
SMILESON=Cc1cn(-c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-5-7-13(8-6-12)21-10-11(9-20-22)14-3-1-2-4-15(14)21/h1-10,22H
InChIKeyOGXHBJDUUFUMOG-UHFFFAOYSA-N
XLogP4.46
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.46
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 N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine (CID 176652794) is N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine is ON=Cc1cn(-c2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine?
The InChIKey is OGXHBJDUUFUMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)12-5-7-13(8-6-12)21-10-11(9-20-22)14-3-1-2-4-15(14)21/h1-10,22H.
What are the key properties of N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine?
N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine has a molecular weight of 304.27 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 176652794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).