5-tert-butyl-2,3-dichlorofuran

C8H10Cl2O — CID 166024356

IUPAC5-tert-butyl-2,3-dichlorofuran
SMILESCC(C)(C)c1cc(Cl)c(Cl)o1
InChIInChI=1S/C8H10Cl2O/c1-8(2,3)6-4-5(9)7(10)11-6/h4H,1-3H3
InChIKeyDMSYYCUOBPRSIZ-UHFFFAOYSA-N
MW193.07 g/mol
LogP3.88
Rot. Bonds

About 5-tert-butyl-2,3-dichlorofuran

5-tert-butyl-2,3-dichlorofuran (PubChem CID 166024356) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dichlorofuran.

Molecular Properties

Compound Name5-tert-butyl-2,3-dichlorofuran
PubChem CID166024356
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name5-tert-butyl-2,3-dichlorofuran
SMILESCC(C)(C)c1cc(Cl)c(Cl)o1
InChIInChI=1S/C8H10Cl2O/c1-8(2,3)6-4-5(9)7(10)11-6/h4H,1-3H3
InChIKeyDMSYYCUOBPRSIZ-UHFFFAOYSA-N
XLogP3.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dichlorofuran?
The IUPAC name of 5-tert-butyl-2,3-dichlorofuran (CID 166024356) is 5-tert-butyl-2,3-dichlorofuran.
What is the SMILES notation for 5-tert-butyl-2,3-dichlorofuran?
The canonical SMILES for 5-tert-butyl-2,3-dichlorofuran is CC(C)(C)c1cc(Cl)c(Cl)o1.
What is the InChIKey of 5-tert-butyl-2,3-dichlorofuran?
The InChIKey is DMSYYCUOBPRSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O/c1-8(2,3)6-4-5(9)7(10)11-6/h4H,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dichlorofuran?
5-tert-butyl-2,3-dichlorofuran has a molecular weight of 193.07 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dichlorofuran is sourced from PubChem (CID 166024356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).