N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine

C15H14FNOS — CID 72597447

IUPACN-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine
SMILESCSc1ccc(CC(=NO)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNOS/c1-19-15-8-7-11(9-13(15)16)10-14(17-18)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3
InChIKeyANOPIFREJKLCTD-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.97
Rot. Bonds4

About N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine

N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine (PubChem CID 72597447) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine
PubChem CID72597447
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine
SMILESCSc1ccc(CC(=NO)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNOS/c1-19-15-8-7-11(9-13(15)16)10-14(17-18)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3
InChIKeyANOPIFREJKLCTD-UHFFFAOYSA-N
XLogP3.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine
CID 174958902
(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
CID 134924868
2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene
CID 67531286
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 19608702
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
(NE)-N-[2-(4-fluoro-3-methylphenyl)-1-(4-methylsulfanyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
CID 172953952
(NZ)-N-[(5Z)-5-hydroxyimino-1,3,5-triphenylpentylidene]hydroxylamine
CID 74229627
4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
CID 136826320
CID 134863341
CID 134863341

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine (CID 72597447) is N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine is CSc1ccc(CC(=NO)c2ccccc2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine?
The InChIKey is ANOPIFREJKLCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-19-15-8-7-11(9-13(15)16)10-14(17-18)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3.
What are the key properties of N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine?
N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine has a molecular weight of 275.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 72597447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).