N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine

C8H6F3NO — CID 3056297

IUPACN-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-12-13/h1-5,13H
InChIKeyMNDYDYTXPOFXLS-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.51
Rot. Bonds1

About N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine

N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine (PubChem CID 3056297) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
PubChem CID3056297
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-12-13/h1-5,13H
InChIKeyMNDYDYTXPOFXLS-UHFFFAOYSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine (CID 3056297) is N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine is ON=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is MNDYDYTXPOFXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-12-13/h1-5,13H.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 189.14 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 3056297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).