[(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten

C16H10F8N2W — CID 166590169

IUPAC[(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten
SMILESNc1cccc(C(=[W])Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1F
InChIInChI=1S/C16H10F8N2.W/c17-13-9(2-1-3-12(13)25)8-26-11-6-4-10(5-7-11)14(18,15(19,20)21)16(22,23)24;/h1-7,26H,25H2;
InChIKeyRBKVAFMAGLKJRN-UHFFFAOYSA-N
MW566.09 g/mol
LogP4.83
Rot. Bonds4

About [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten

[(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten (PubChem CID 166590169) has the molecular formula C16H10F8N2W and a molecular weight of 566.09 g/mol. Its IUPAC name is [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten.

Molecular Properties

Compound Name[(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten
PubChem CID166590169
Molecular FormulaC16H10F8N2W
Molecular Weight566.09 g/mol
Exact Mass566.02
IUPAC Name[(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten
SMILESNc1cccc(C(=[W])Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1F
InChIInChI=1S/C16H10F8N2.W/c17-13-9(2-1-3-12(13)25)8-26-11-6-4-10(5-7-11)14(18,15(19,20)21)16(22,23)24;/h1-7,26H,25H2;
InChIKeyRBKVAFMAGLKJRN-UHFFFAOYSA-N
XLogP4.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.09
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3-hexafluorobutan-2-yl)anilino]methylidene]tungsten
CID 166590161
3-amino-2-fluoro-N-[2-iodo-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)-6-(trifluoromethyl)phenyl]benzamide
CID 87289016
N-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 151001244
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 150244858
1-(3-amino-2-fluorophenyl)-2-[2-iodo-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)-6-(trifluoromethyl)phenyl]ethanone
CID 58297526
3-amino-N-[2-bromo-6-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide;N-[2-bromo-6-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluoro-3-(propylamino)benzamide;methanol
CID 160770244
3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide
CID 153361413
2-N-(2-cyanopropan-2-yl)-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-3-iodobenzene-1,2-dicarboxamide
CID 118369849
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
3-benzamido-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethyl)phenyl]benzamide
CID 162620992

Frequently Asked Questions

What is the IUPAC name of [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten?
The IUPAC name of [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten (CID 166590169) is [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten.
What is the SMILES notation for [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten?
The canonical SMILES for [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten is Nc1cccc(C(=[W])Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1F.
What is the InChIKey of [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten?
The InChIKey is RBKVAFMAGLKJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F8N2.W/c17-13-9(2-1-3-12(13)25)8-26-11-6-4-10(5-7-11)14(18,15(19,20)21)16(22,23)24;/h1-7,26H,25H2;.
What are the key properties of [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten?
[(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten has a molecular weight of 566.09 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-amino-2-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]methylidene]tungsten is sourced from PubChem (CID 166590169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).