(NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine

C9H7ClF3NO — CID 19103171

IUPAC(NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine
SMILESO/N=C(/Cc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c10-7-4-2-1-3-6(7)5-8(14-15)9(11,12)13/h1-4,15H,5H2/b14-8-
InChIKeyCPUHMNXXWDOMQA-ZSOIEALJSA-N
MW237.61 g/mol
LogP3.28
Rot. Bonds2

About (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine

(NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine (PubChem CID 19103171) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine
PubChem CID19103171
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC Name(NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine
SMILESO/N=C(/Cc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c10-7-4-2-1-3-6(7)5-8(14-15)9(11,12)13/h1-4,15H,5H2/b14-8-
InChIKeyCPUHMNXXWDOMQA-ZSOIEALJSA-N
XLogP3.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 53.28
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-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine (CID 19103171) is (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine is O/N=C(/Cc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine?
The InChIKey is CPUHMNXXWDOMQA-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c10-7-4-2-1-3-6(7)5-8(14-15)9(11,12)13/h1-4,15H,5H2/b14-8-.
What are the key properties of (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine?
(NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine has a molecular weight of 237.61 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 19103171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).