2-tert-butyl-3-chloro-4-fluorofuran

C8H10ClFO — CID 146378476

IUPAC2-tert-butyl-3-chloro-4-fluorofuran
SMILESCC(C)(C)c1occ(F)c1Cl
InChIInChI=1S/C8H10ClFO/c1-8(2,3)7-6(9)5(10)4-11-7/h4H,1-3H3
InChIKeyNHRKUILPPKEPRM-UHFFFAOYSA-N
MW176.62 g/mol
LogP3.37
Rot. Bonds

About 2-tert-butyl-3-chloro-4-fluorofuran

2-tert-butyl-3-chloro-4-fluorofuran (PubChem CID 146378476) has the molecular formula C8H10ClFO and a molecular weight of 176.62 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-4-fluorofuran.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-4-fluorofuran
PubChem CID146378476
Molecular FormulaC8H10ClFO
Molecular Weight176.62 g/mol
Exact Mass176.04
IUPAC Name2-tert-butyl-3-chloro-4-fluorofuran
SMILESCC(C)(C)c1occ(F)c1Cl
InChIInChI=1S/C8H10ClFO/c1-8(2,3)7-6(9)5(10)4-11-7/h4H,1-3H3
InChIKeyNHRKUILPPKEPRM-UHFFFAOYSA-N
XLogP3.37
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-4-fluorofuran?
The IUPAC name of 2-tert-butyl-3-chloro-4-fluorofuran (CID 146378476) is 2-tert-butyl-3-chloro-4-fluorofuran.
What is the SMILES notation for 2-tert-butyl-3-chloro-4-fluorofuran?
The canonical SMILES for 2-tert-butyl-3-chloro-4-fluorofuran is CC(C)(C)c1occ(F)c1Cl.
What is the InChIKey of 2-tert-butyl-3-chloro-4-fluorofuran?
The InChIKey is NHRKUILPPKEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFO/c1-8(2,3)7-6(9)5(10)4-11-7/h4H,1-3H3.
What are the key properties of 2-tert-butyl-3-chloro-4-fluorofuran?
2-tert-butyl-3-chloro-4-fluorofuran has a molecular weight of 176.62 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-4-fluorofuran is sourced from PubChem (CID 146378476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).