1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)

C15H12F2Zr+2 — CID 87754590

IUPAC1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)
SMILESFc1ccc(CC(=[Zr+2])Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12F2.Zr/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13;/h4-11H,2-3H2;/q;+2
InChIKeyNPQDPPMADBTNLF-UHFFFAOYSA-N
MW321.48 g/mol
LogP3.47
Rot. Bonds4

About 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)

1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+) (PubChem CID 87754590) has the molecular formula C15H12F2Zr+2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+).

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)
PubChem CID87754590
Molecular FormulaC15H12F2Zr+2
Molecular Weight321.48 g/mol
Exact Mass319.99
IUPAC Name1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)
SMILESFc1ccc(CC(=[Zr+2])Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12F2.Zr/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13;/h4-11H,2-3H2;/q;+2
InChIKeyNPQDPPMADBTNLF-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-(2-methylprop-2-enyl)benzene
CID 10954713
2-[(4-fluorophenyl)methyl]prop-2-en-1-ol
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1-fluoro-4-(2-methylidenebutyl)benzene
CID 91243133
1-(4-fluorophenyl)butane-2,3-dione
CID 83696223
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
CID 91620735
sodium 1-ethyl-4-fluorobenzene
CID 174390986
1-(4-fluorophenyl)but-3-en-2-one
CID 21099291
(Z)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 25013780
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
3-(4-fluorophenyl)prop-1-ene-1,1,2-tricarbonitrile
CID 131858572
[1-(4-fluorophenyl)-3-methylbut-2-en-2-yl]-trimethylsilane
CID 10776227
(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 66982900

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)?
The IUPAC name of 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+) (CID 87754590) is 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+).
What is the SMILES notation for 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)?
The canonical SMILES for 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+) is Fc1ccc(CC(=[Zr+2])Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)?
The InChIKey is NPQDPPMADBTNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2.Zr/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(17)11-7-13;/h4-11H,2-3H2;/q;+2.
What are the key properties of 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)?
1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+) has a molecular weight of 321.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+) is sourced from PubChem (CID 87754590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).