2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide

C21H17F3N2OS — CID 11373021

IUPAC2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
SMILESN/C(CSC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F)=N/O
InChIInChI=1S/C21H17F3N2OS/c22-16-9-5-14(6-10-16)21(28-13-20(25)26-27,15-7-11-17(23)12-8-15)18-3-1-2-4-19(18)24/h1-12,27H,13H2,(H2,25,26)
InChIKeyBPJRZPBLXUVFOJ-UHFFFAOYSA-N
MW402.44 g/mol
LogP4.88
Rot. Bonds6

About 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide

2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide (PubChem CID 11373021) has the molecular formula C21H17F3N2OS and a molecular weight of 402.44 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
PubChem CID11373021
Molecular FormulaC21H17F3N2OS
Molecular Weight402.44 g/mol
Exact Mass402.10
IUPAC Name2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
SMILESN/C(CSC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F)=N/O
InChIInChI=1S/C21H17F3N2OS/c22-16-9-5-14(6-10-16)21(28-13-20(25)26-27,15-7-11-17(23)12-8-15)18-3-1-2-4-19(18)24/h1-12,27H,13H2,(H2,25,26)
InChIKeyBPJRZPBLXUVFOJ-UHFFFAOYSA-N
XLogP4.88
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[1,1-Bis(4-fluorophenyl)-2-phenylethyl]sulfanylethanamine
CID 66572347
2-[(2-Fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylethanethioamide
CID 18457075
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 72821383
2-[Bis(4-fluorophenyl)methylsulfanyl]ethanimidamide
CID 132198210
3-(4-fluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949034
3-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949039
3-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949089
3-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949102
3-(2-fluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949206
3-(2-fluorophenyl)sulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77043624
3-(4-fluorophenyl)sulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77043738
3-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77044001

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide (CID 11373021) is 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide is N/C(CSC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F)=N/O.
What is the InChIKey of 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide?
The InChIKey is BPJRZPBLXUVFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2OS/c22-16-9-5-14(6-10-16)21(28-13-20(25)26-27,15-7-11-17(23)12-8-15)18-3-1-2-4-19(18)24/h1-12,27H,13H2,(H2,25,26).
What are the key properties of 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide?
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide has a molecular weight of 402.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 11373021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).