ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole

C11H20FNO — CID 176669852

IUPACethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCC.CC(C)c1cc(C(C)(C)F)no1
InChIInChI=1S/C9H14FNO.C2H6/c1-6(2)7-5-8(11-12-7)9(3,4)10;1-2/h5-6H,1-4H3;1-2H3
InChIKeyFYSCLLZIAUJOGJ-UHFFFAOYSA-N
MW201.28 g/mol
LogP4.03
Rot. Bonds2

About ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole

ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole (PubChem CID 176669852) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole
PubChem CID176669852
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Nameethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCC.CC(C)c1cc(C(C)(C)F)no1
InChIInChI=1S/C9H14FNO.C2H6/c1-6(2)7-5-8(11-12-7)9(3,4)10;1-2/h5-6H,1-4H3;1-2H3
InChIKeyFYSCLLZIAUJOGJ-UHFFFAOYSA-N
XLogP4.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
The IUPAC name of ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole (CID 176669852) is ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole is CC.CC(C)c1cc(C(C)(C)F)no1.
What is the InChIKey of ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
The InChIKey is FYSCLLZIAUJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO.C2H6/c1-6(2)7-5-8(11-12-7)9(3,4)10;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole?
ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole has a molecular weight of 201.28 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 176669852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).