difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth

C19H25BiF2 — CID 164733466

IUPACdifluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth
SMILESCc1cc(C)c([Bi](C)(F)(F)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/2C9H11.CH3.Bi.2FH/c2*1-7-4-8(2)6-9(3)5-7;;;;/h2*4-5H,1-3H3;1H3;;2*1H/q;;;+2;;/p-2
InChIKeyZFRIBSKLNCDRKY-UHFFFAOYSA-L
MW500.39 g/mol
LogP4.62
Rot. Bonds2

About difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth

difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth (PubChem CID 164733466) has the molecular formula C19H25BiF2 and a molecular weight of 500.39 g/mol. Its IUPAC name is difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth.

Molecular Properties

Compound Namedifluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth
PubChem CID164733466
Molecular FormulaC19H25BiF2
Molecular Weight500.39 g/mol
Exact Mass500.17
IUPAC Namedifluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth
SMILESCc1cc(C)c([Bi](C)(F)(F)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/2C9H11.CH3.Bi.2FH/c2*1-7-4-8(2)6-9(3)5-7;;;;/h2*4-5H,1-3H3;1H3;;2*1H/q;;;+2;;/p-2
InChIKeyZFRIBSKLNCDRKY-UHFFFAOYSA-L
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
2,4,6-trimethylbenzeneselenolate
CID 13099944
CID 174602937
CID 174602937
(2,4,6-trimethylanilino)azanium chloride
CID 2737338
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
Hexamesitylcyclotrigermane
CID 11007522
cobalt;2,4,6-trimethylaniline
CID 159454360
(2,4,6-trimethylphenyl)-(2,4,6-trimethylphenyl)phosphanylidenephosphane
CID 23413764
1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene
CID 522415
samarium(3+);tris(2,4,6-trimethylphenolate)
CID 101332383

Frequently Asked Questions

What is the IUPAC name of difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth?
The IUPAC name of difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth (CID 164733466) is difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth.
What is the SMILES notation for difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth?
The canonical SMILES for difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth is Cc1cc(C)c([Bi](C)(F)(F)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth?
The InChIKey is ZFRIBSKLNCDRKY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H11.CH3.Bi.2FH/c2*1-7-4-8(2)6-9(3)5-7;;;;/h2*4-5H,1-3H3;1H3;;2*1H/q;;;+2;;/p-2.
What are the key properties of difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth?
difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth has a molecular weight of 500.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-methyl-bis(2,4,6-trimethylphenyl)bismuth is sourced from PubChem (CID 164733466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).