dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene

C16H12Cl2F2Zr — CID 175439244

IUPACdichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2cc(F)cc(F)c2)C1.Cl[Zr]Cl
InChIInChI=1S/C16H12F2.2ClH.Zr/c1-10-5-11-3-2-4-15(16(11)6-10)12-7-13(17)9-14(18)8-12;;;/h2-4,6-9H,5H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyITEZJBJLBRLDQJ-UHFFFAOYSA-L
MW404.40 g/mol
LogP5.97
Rot. Bonds1

About dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene

dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene (PubChem CID 175439244) has the molecular formula C16H12Cl2F2Zr and a molecular weight of 404.40 g/mol. Its IUPAC name is dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene
PubChem CID175439244
Molecular FormulaC16H12Cl2F2Zr
Molecular Weight404.40 g/mol
Exact Mass401.93
IUPAC Namedichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene
SMILESCC1=Cc2c(cccc2-c2cc(F)cc(F)c2)C1.Cl[Zr]Cl
InChIInChI=1S/C16H12F2.2ClH.Zr/c1-10-5-11-3-2-4-15(16(11)6-10)12-7-13(17)9-14(18)8-12;;;/h2-4,6-9H,5H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyITEZJBJLBRLDQJ-UHFFFAOYSA-L
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3,5-diphenylphenyl)-2-methyl-1H-indene
CID 141047281
4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1H-indene;dichlorozirconium
CID 174797016
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
2-methyl-4-(3-phenylphenyl)-1H-indene
CID 18008269
[3-(2-methyl-1H-inden-4-yl)phenyl]-diphenylphosphane
CID 173242054
dichlorozirconium;2,6-dimethyl-4-phenyl-1H-indene
CID 174528512
dimethylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-indene);dichloride
CID 173107373
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
4-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene
CID 141003705
dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
CID 174516204

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene?
The IUPAC name of dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene (CID 175439244) is dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene.
What is the SMILES notation for dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene?
The canonical SMILES for dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene is CC1=Cc2c(cccc2-c2cc(F)cc(F)c2)C1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene?
The InChIKey is ITEZJBJLBRLDQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H12F2.2ClH.Zr/c1-10-5-11-3-2-4-15(16(11)6-10)12-7-13(17)9-14(18)8-12;;;/h2-4,6-9H,5H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene?
dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene has a molecular weight of 404.40 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(3,5-difluorophenyl)-2-methyl-1H-indene is sourced from PubChem (CID 175439244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).