2-tert-butyl-3-fluorofuran

C8H11FO — CID 146377015

IUPAC2-tert-butyl-3-fluorofuran
SMILESCC(C)(C)c1occc1F
InChIInChI=1S/C8H11FO/c1-8(2,3)7-6(9)4-5-10-7/h4-5H,1-3H3
InChIKeyZPOXOXGKLGCXHF-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.72
Rot. Bonds

About 2-tert-butyl-3-fluorofuran

2-tert-butyl-3-fluorofuran (PubChem CID 146377015) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-tert-butyl-3-fluorofuran.

Molecular Properties

Compound Name2-tert-butyl-3-fluorofuran
PubChem CID146377015
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-tert-butyl-3-fluorofuran
SMILESCC(C)(C)c1occc1F
InChIInChI=1S/C8H11FO/c1-8(2,3)7-6(9)4-5-10-7/h4-5H,1-3H3
InChIKeyZPOXOXGKLGCXHF-UHFFFAOYSA-N
XLogP2.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.72
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-fluorofuran?
The IUPAC name of 2-tert-butyl-3-fluorofuran (CID 146377015) is 2-tert-butyl-3-fluorofuran.
What is the SMILES notation for 2-tert-butyl-3-fluorofuran?
The canonical SMILES for 2-tert-butyl-3-fluorofuran is CC(C)(C)c1occc1F.
What is the InChIKey of 2-tert-butyl-3-fluorofuran?
The InChIKey is ZPOXOXGKLGCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-8(2,3)7-6(9)4-5-10-7/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-3-fluorofuran?
2-tert-butyl-3-fluorofuran has a molecular weight of 142.17 g/mol, XLogP of 2.72, 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-fluorofuran is sourced from PubChem (CID 146377015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).