(NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine

C13H14FNO — CID 118955045

IUPAC(NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine
SMILESCCCCC#C/C(=N\O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO/c1-2-3-4-5-6-13(15-16)11-7-9-12(14)10-8-11/h7-10,16H,2-4H2,1H3/b15-13+
InChIKeyPPCADJUELFEVEQ-FYWRMAATSA-N
MW219.26 g/mol
LogP3.20
Rot. Bonds3

About (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine

(NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine (PubChem CID 118955045) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine
PubChem CID118955045
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine
SMILESCCCCC#C/C(=N\O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO/c1-2-3-4-5-6-13(15-16)11-7-9-12(14)10-8-11/h7-10,16H,2-4H2,1H3/b15-13+
InChIKeyPPCADJUELFEVEQ-FYWRMAATSA-N
XLogP3.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine (CID 118955045) is (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine is CCCCC#C/C(=N\O)c1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine?
The InChIKey is PPCADJUELFEVEQ-FYWRMAATSA-N. The full InChI is InChI=1S/C13H14FNO/c1-2-3-4-5-6-13(15-16)11-7-9-12(14)10-8-11/h7-10,16H,2-4H2,1H3/b15-13+.
What are the key properties of (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine?
(NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine has a molecular weight of 219.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-fluorophenyl)hept-2-ynylidene]hydroxylamine is sourced from PubChem (CID 118955045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).