dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene

C19H17Cl2F3Zr — CID 174516204

IUPACdichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
SMILESCC(C)C1=Cc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1.Cl[Zr]Cl
InChIInChI=1S/C19H17F3.2ClH.Zr/c1-12(2)15-10-14-4-3-5-17(18(14)11-15)13-6-8-16(9-7-13)19(20,21)22;;;/h3-9,11-12H,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyNNQLVCZFUCZRQX-UHFFFAOYSA-L
MW464.47 g/mol
LogP7.34
Rot. Bonds2

About dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene

dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene (PubChem CID 174516204) has the molecular formula C19H17Cl2F3Zr and a molecular weight of 464.47 g/mol. Its IUPAC name is dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
PubChem CID174516204
Molecular FormulaC19H17Cl2F3Zr
Molecular Weight464.47 g/mol
Exact Mass461.97
IUPAC Namedichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
SMILESCC(C)C1=Cc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1.Cl[Zr]Cl
InChIInChI=1S/C19H17F3.2ClH.Zr/c1-12(2)15-10-14-4-3-5-17(18(14)11-15)13-6-8-16(9-7-13)19(20,21)22;;;/h3-9,11-12H,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyNNQLVCZFUCZRQX-UHFFFAOYSA-L
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene?
The IUPAC name of dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene (CID 174516204) is dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene.
What is the SMILES notation for dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene?
The canonical SMILES for dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene is CC(C)C1=Cc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene?
The InChIKey is NNQLVCZFUCZRQX-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H17F3.2ClH.Zr/c1-12(2)15-10-14-4-3-5-17(18(14)11-15)13-6-8-16(9-7-13)19(20,21)22;;;/h3-9,11-12H,10H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene?
dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene has a molecular weight of 464.47 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene is sourced from PubChem (CID 174516204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).