2-fluoro-2,3,3,4,5-pentamethylfuran

C9H15FO — CID 123724209

IUPAC2-fluoro-2,3,3,4,5-pentamethylfuran
SMILESCC1=C(C)C(C)(C)C(C)(F)O1
InChIInChI=1S/C9H15FO/c1-6-7(2)11-9(5,10)8(6,3)4/h1-5H3
InChIKeyBAGMNOYRJOFSTD-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.02
Rot. Bonds

About 2-fluoro-2,3,3,4,5-pentamethylfuran

2-fluoro-2,3,3,4,5-pentamethylfuran (PubChem CID 123724209) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-fluoro-2,3,3,4,5-pentamethylfuran.

Molecular Properties

Compound Name2-fluoro-2,3,3,4,5-pentamethylfuran
PubChem CID123724209
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name2-fluoro-2,3,3,4,5-pentamethylfuran
SMILESCC1=C(C)C(C)(C)C(C)(F)O1
InChIInChI=1S/C9H15FO/c1-6-7(2)11-9(5,10)8(6,3)4/h1-5H3
InChIKeyBAGMNOYRJOFSTD-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3,3,4,5-pentamethylfuran?
The IUPAC name of 2-fluoro-2,3,3,4,5-pentamethylfuran (CID 123724209) is 2-fluoro-2,3,3,4,5-pentamethylfuran.
What is the SMILES notation for 2-fluoro-2,3,3,4,5-pentamethylfuran?
The canonical SMILES for 2-fluoro-2,3,3,4,5-pentamethylfuran is CC1=C(C)C(C)(C)C(C)(F)O1.
What is the InChIKey of 2-fluoro-2,3,3,4,5-pentamethylfuran?
The InChIKey is BAGMNOYRJOFSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-6-7(2)11-9(5,10)8(6,3)4/h1-5H3.
What are the key properties of 2-fluoro-2,3,3,4,5-pentamethylfuran?
2-fluoro-2,3,3,4,5-pentamethylfuran has a molecular weight of 158.22 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3,3,4,5-pentamethylfuran is sourced from PubChem (CID 123724209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).