(NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine

C16H16FNO — CID 88774026

IUPAC(NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO/c1-12(18-19)16(2,13-7-4-3-5-8-13)14-9-6-10-15(17)11-14/h3-11,19H,1-2H3/b18-12+
InChIKeyNLPYHNAGRVCDCG-LDADJPATSA-N
MW257.31 g/mol
LogP3.98
Rot. Bonds3

About (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine

(NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine (PubChem CID 88774026) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine
PubChem CID88774026
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine
SMILESC/C(=N\O)C(C)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO/c1-12(18-19)16(2,13-7-4-3-5-8-13)14-9-6-10-15(17)11-14/h3-11,19H,1-2H3/b18-12+
InChIKeyNLPYHNAGRVCDCG-LDADJPATSA-N
XLogP3.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.98
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 (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine (CID 88774026) is (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine is C/C(=N\O)C(C)(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine?
The InChIKey is NLPYHNAGRVCDCG-LDADJPATSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(18-19)16(2,13-7-4-3-5-8-13)14-9-6-10-15(17)11-14/h3-11,19H,1-2H3/b18-12+.
What are the key properties of (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine?
(NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine has a molecular weight of 257.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(3-fluorophenyl)-3-phenylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88774026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).