2,5-ditert-butyl-3-fluorofuran

C12H19FO — CID 122449101

IUPAC2,5-ditert-butyl-3-fluorofuran
SMILESCC(C)(C)c1cc(F)c(C(C)(C)C)o1
InChIInChI=1S/C12H19FO/c1-11(2,3)9-7-8(13)10(14-9)12(4,5)6/h7H,1-6H3
InChIKeyUSEUQFJKHIBIOZ-UHFFFAOYSA-N
MW198.28 g/mol
LogP4.01
Rot. Bonds

About 2,5-ditert-butyl-3-fluorofuran

2,5-ditert-butyl-3-fluorofuran (PubChem CID 122449101) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 2,5-ditert-butyl-3-fluorofuran.

Molecular Properties

Compound Name2,5-ditert-butyl-3-fluorofuran
PubChem CID122449101
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name2,5-ditert-butyl-3-fluorofuran
SMILESCC(C)(C)c1cc(F)c(C(C)(C)C)o1
InChIInChI=1S/C12H19FO/c1-11(2,3)9-7-8(13)10(14-9)12(4,5)6/h7H,1-6H3
InChIKeyUSEUQFJKHIBIOZ-UHFFFAOYSA-N
XLogP4.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyl-5-methylfuran
CID 74346
2-tert-Butylfuran
CID 138903
2-Methyl-5-propylfuran
CID 5191689
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
CID 21767560
2-Methyl-5-(1-methylethyl)furan
CID 10678230
CID 361838
CID 361838
2,5-Di-tert-butylfuran
CID 138352
6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
CID 579180
2,5-Diethylfuran
CID 6428556
2-Pentanone, 4-methyl-4-(5-methyl-2-furanyl)-
CID 3015588
2-Butyl-5-methylfuran
CID 3333144
2-(3-Hexenyl)-5-methylfuran
CID 107599

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-3-fluorofuran?
The IUPAC name of 2,5-ditert-butyl-3-fluorofuran (CID 122449101) is 2,5-ditert-butyl-3-fluorofuran.
What is the SMILES notation for 2,5-ditert-butyl-3-fluorofuran?
The canonical SMILES for 2,5-ditert-butyl-3-fluorofuran is CC(C)(C)c1cc(F)c(C(C)(C)C)o1.
What is the InChIKey of 2,5-ditert-butyl-3-fluorofuran?
The InChIKey is USEUQFJKHIBIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-11(2,3)9-7-8(13)10(14-9)12(4,5)6/h7H,1-6H3.
What are the key properties of 2,5-ditert-butyl-3-fluorofuran?
2,5-ditert-butyl-3-fluorofuran has a molecular weight of 198.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-3-fluorofuran is sourced from PubChem (CID 122449101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).