1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate

C10H14BF4I — CID 174811942

IUPAC1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate
SMILESCC(C)(C)c1ccc(I)cc1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C10H13I.BF4/c1-10(2,3)8-4-6-9(11)7-5-8;2-1(3,4)5/h4-7H,1-3H3;/q;-1/p+1
InChIKeyBRRUWRQRELSDIU-UHFFFAOYSA-O
MW347.93 g/mol
LogP5.00
Rot. Bonds

About 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate

1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate (PubChem CID 174811942) has the molecular formula C10H14BF4I and a molecular weight of 347.93 g/mol. Its IUPAC name is 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate.

Molecular Properties

Compound Name1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate
PubChem CID174811942
Molecular FormulaC10H14BF4I
Molecular Weight347.93 g/mol
Exact Mass348.02
IUPAC Name1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate
SMILESCC(C)(C)c1ccc(I)cc1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C10H13I.BF4/c1-10(2,3)8-4-6-9(11)7-5-8;2-1(3,4)5/h4-7H,1-3H3;/q;-1/p+1
InChIKeyBRRUWRQRELSDIU-UHFFFAOYSA-O
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.93
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium
CID 171726684
acetic acid;1-tert-butyl-4-iodobenzene
CID 172850232
1-tert-butyl-4-iodobenzene;tetraphenylboranuide
CID 89461890
N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
CID 108529818
1-tert-butyl-4-iodobenzene;fluoro 2,3,4,5,6-pentafluorobenzenesulfonate
CID 175318605
1-iodo-4-(3-methylpentan-3-yl)benzene
CID 170407993
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
4-tert-butyl-1-[2-(4-tert-butylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium ditetrafluoroborate
CID 11612532
2-(4-tert-butylphenyl)ethynyl-trifluoroboranuide
CID 165177807
tetrakis(4-tert-butylphenyl)boranuide
CID 4260042
1-iodo-4-(2-nitropropan-2-yl)benzene
CID 87605476
1-tert-butyl-4-methylbenzene
CID 163486601

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate?
The IUPAC name of 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate (CID 174811942) is 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate.
What is the SMILES notation for 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate?
The canonical SMILES for 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate is CC(C)(C)c1ccc(I)cc1.F[B-](F)(F)F.[H+].
What is the InChIKey of 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate?
The InChIKey is BRRUWRQRELSDIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13I.BF4/c1-10(2,3)8-4-6-9(11)7-5-8;2-1(3,4)5/h4-7H,1-3H3;/q;-1/p+1.
What are the key properties of 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate?
1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate has a molecular weight of 347.93 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate is sourced from PubChem (CID 174811942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).