(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine

C9H10FNO — CID 91620735

IUPAC(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(F)cc1)=N/O
InChIInChI=1S/C9H10FNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6H2,1H3/b11-7-
InChIKeyMTIGMGPOXRUUMD-XFFZJAGNSA-N
MW167.18 g/mol
LogP2.22
Rot. Bonds2

About (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine

(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine (PubChem CID 91620735) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
PubChem CID91620735
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc(F)cc1)=N/O
InChIInChI=1S/C9H10FNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6H2,1H3/b11-7-
InChIKeyMTIGMGPOXRUUMD-XFFZJAGNSA-N
XLogP2.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.22
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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Related Compounds

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(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
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1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)
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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine (CID 91620735) is (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccc(F)cc1)=N/O.
What is the InChIKey of (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is MTIGMGPOXRUUMD-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H10FNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6H2,1H3/b11-7-.
What are the key properties of (NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 167.18 g/mol, XLogP of 2.22, 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-fluorophenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 91620735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).