1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene

C10H13F — CID 130395624

IUPAC1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene
SMILES[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1F
InChIInChI=1S/C10H13F/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3/i4D,5D,6D,7D
InChIKeyISXPXFQBHNIYCU-UGWFXTGHSA-N
MW156.24 g/mol
LogP3.12
Rot. Bonds

About 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene

1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene (PubChem CID 130395624) has the molecular formula C10H13F and a molecular weight of 156.24 g/mol. Its IUPAC name is 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene.

Molecular Properties

Compound Name1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene
PubChem CID130395624
Molecular FormulaC10H13F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene
SMILES[2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1F
InChIInChI=1S/C10H13F/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3/i4D,5D,6D,7D
InChIKeyISXPXFQBHNIYCU-UGWFXTGHSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene?
The IUPAC name of 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene (CID 130395624) is 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene.
What is the SMILES notation for 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene?
The canonical SMILES for 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene is [2H]c1c([2H])c(C(C)(C)C)c([2H])c([2H])c1F.
What is the InChIKey of 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene?
The InChIKey is ISXPXFQBHNIYCU-UGWFXTGHSA-N. The full InChI is InChI=1S/C10H13F/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3/i4D,5D,6D,7D.
What are the key properties of 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene?
1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene has a molecular weight of 156.24 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,5,6-tetradeuterio-4-fluorobenzene is sourced from PubChem (CID 130395624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).