2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran

C12H21FO — CID 177129188

IUPAC2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran
SMILESCC(C)(C)C1C=C(F)OC1C(C)(C)C
InChIInChI=1S/C12H21FO/c1-11(2,3)8-7-9(13)14-10(8)12(4,5)6/h7-8,10H,1-6H3
InChIKeyRPWYKYDOMGKBAB-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.90
Rot. Bonds

About 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran

2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran (PubChem CID 177129188) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran.

Molecular Properties

Compound Name2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran
PubChem CID177129188
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran
SMILESCC(C)(C)C1C=C(F)OC1C(C)(C)C
InChIInChI=1S/C12H21FO/c1-11(2,3)8-7-9(13)14-10(8)12(4,5)6/h7-8,10H,1-6H3
InChIKeyRPWYKYDOMGKBAB-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran?
The IUPAC name of 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran (CID 177129188) is 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran.
What is the SMILES notation for 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran?
The canonical SMILES for 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran is CC(C)(C)C1C=C(F)OC1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran?
The InChIKey is RPWYKYDOMGKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO/c1-11(2,3)8-7-9(13)14-10(8)12(4,5)6/h7-8,10H,1-6H3.
What are the key properties of 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran?
2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran has a molecular weight of 200.30 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-fluoro-2,3-dihydrofuran is sourced from PubChem (CID 177129188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).