2-tert-butyl-5-fluoro-3-methylfuran

C9H13FO — CID 146377030

IUPAC2-tert-butyl-5-fluoro-3-methylfuran
SMILESCc1cc(F)oc1C(C)(C)C
InChIInChI=1S/C9H13FO/c1-6-5-7(10)11-8(6)9(2,3)4/h5H,1-4H3
InChIKeyPQLVCEDAMPYRMZ-UHFFFAOYSA-N
MW156.20 g/mol
LogP3.02
Rot. Bonds

About 2-tert-butyl-5-fluoro-3-methylfuran

2-tert-butyl-5-fluoro-3-methylfuran (PubChem CID 146377030) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-3-methylfuran.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-3-methylfuran
PubChem CID146377030
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name2-tert-butyl-5-fluoro-3-methylfuran
SMILESCc1cc(F)oc1C(C)(C)C
InChIInChI=1S/C9H13FO/c1-6-5-7(10)11-8(6)9(2,3)4/h5H,1-4H3
InChIKeyPQLVCEDAMPYRMZ-UHFFFAOYSA-N
XLogP3.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
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-tert-butyl-5-fluoro-3-methylfuran?
The IUPAC name of 2-tert-butyl-5-fluoro-3-methylfuran (CID 146377030) is 2-tert-butyl-5-fluoro-3-methylfuran.
What is the SMILES notation for 2-tert-butyl-5-fluoro-3-methylfuran?
The canonical SMILES for 2-tert-butyl-5-fluoro-3-methylfuran is Cc1cc(F)oc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-fluoro-3-methylfuran?
The InChIKey is PQLVCEDAMPYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-6-5-7(10)11-8(6)9(2,3)4/h5H,1-4H3.
What are the key properties of 2-tert-butyl-5-fluoro-3-methylfuran?
2-tert-butyl-5-fluoro-3-methylfuran has a molecular weight of 156.20 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-tert-butyl-5-fluoro-3-methylfuran is sourced from PubChem (CID 146377030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).