[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten

C17H15ClF3NW — CID 140656795

IUPAC[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten
SMILESCC(C)(C=[W]=Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12.C7H3ClF3N.W/c1-10(2,3)9-7-5-4-6-8-9;8-5-3-1-2-4(6(5)12)7(9,10)11;/h1,4-8H,2-3H3;1-3H;
InChIKeyAGSNKJXCJSMEHO-UHFFFAOYSA-N
MW509.60 g/mol
LogP6.04
Rot. Bonds3

About [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten

[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten (PubChem CID 140656795) has the molecular formula C17H15ClF3NW and a molecular weight of 509.60 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten
PubChem CID140656795
Molecular FormulaC17H15ClF3NW
Molecular Weight509.60 g/mol
Exact Mass509.04
IUPAC Name[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten
SMILESCC(C)(C=[W]=Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12.C7H3ClF3N.W/c1-10(2,3)9-7-5-4-6-8-9;8-5-3-1-2-4(6(5)12)7(9,10)11;/h1,4-8H,2-3H3;1-3H;
InChIKeyAGSNKJXCJSMEHO-UHFFFAOYSA-N
XLogP6.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine
CID 54457272
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 161383120
2-chloro-N,N-dimethyl-6-(trifluoromethyl)aniline
CID 143122342
1-(2-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62788125
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;ethane;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;[(2Z)-penta-2,4-dien-2-yl]azanide;1,10-phenanthroline
CID 176659009
1-amino-2-[2-chloro-6-(trifluoromethyl)phenyl]guanidine
CID 116510402
N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide
CID 63174554
3-(2-chlorophenyl)-3-fluoro-2-methylbutan-2-amine
CID 105469306

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten?
The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten (CID 140656795) is [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten is CC(C)(C=[W]=Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten?
The InChIKey is AGSNKJXCJSMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C7H3ClF3N.W/c1-10(2,3)9-7-5-4-6-8-9;8-5-3-1-2-4(6(5)12)7(9,10)11;/h1,4-8H,2-3H3;1-3H;.
What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten?
[2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten has a molecular weight of 509.60 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten is sourced from PubChem (CID 140656795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).