(NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine

C9H5ClF5NO — CID 19995461

IUPAC(NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Cl)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5ClF5NO/c10-6-3-1-5(2-4-6)7(16-17)8(11,12)9(13,14)15/h1-4,17H/b16-7-
InChIKeyCYJBBMIRJFOEET-APSNUPSMSA-N
MW273.59 g/mol
LogP3.72
Rot. Bonds2

About (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine

(NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine (PubChem CID 19995461) has the molecular formula C9H5ClF5NO and a molecular weight of 273.59 g/mol. Its IUPAC name is (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine
PubChem CID19995461
Molecular FormulaC9H5ClF5NO
Molecular Weight273.59 g/mol
Exact Mass273.00
IUPAC Name(NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Cl)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5ClF5NO/c10-6-3-1-5(2-4-6)7(16-17)8(11,12)9(13,14)15/h1-4,17H/b16-7-
InChIKeyCYJBBMIRJFOEET-APSNUPSMSA-N
XLogP3.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 53.72
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine (CID 19995461) is (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine is O/N=C(/c1ccc(Cl)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine?
The InChIKey is CYJBBMIRJFOEET-APSNUPSMSA-N. The full InChI is InChI=1S/C9H5ClF5NO/c10-6-3-1-5(2-4-6)7(16-17)8(11,12)9(13,14)15/h1-4,17H/b16-7-.
What are the key properties of (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine?
(NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine has a molecular weight of 273.59 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropylidene]hydroxylamine is sourced from PubChem (CID 19995461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).