(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine

C10H10F3NO — CID 154038500

IUPAC(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-9(14-15)7-5-3-4-6-8(7)10(11,12)13/h3-6,15H,2H2,1H3/b14-9-
InChIKeySZEJAKXXTXHKBL-ZROIWOOFSA-N
MW217.19 g/mol
LogP3.29
Rot. Bonds2

About (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine (PubChem CID 154038500) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine
PubChem CID154038500
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-2-9(14-15)7-5-3-4-6-8(7)10(11,12)13/h3-6,15H,2H2,1H3/b14-9-
InChIKeySZEJAKXXTXHKBL-ZROIWOOFSA-N
XLogP3.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 53.29
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 (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine (CID 154038500) is (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccccc1C(F)(F)F.
What is the InChIKey of (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine?
The InChIKey is SZEJAKXXTXHKBL-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-9(14-15)7-5-3-4-6-8(7)10(11,12)13/h3-6,15H,2H2,1H3/b14-9-.
What are the key properties of (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine has a molecular weight of 217.19 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 154038500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).