5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride

C8H18F7NO — CID 160976916

IUPAC5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride
SMILESCC1(C)CN=CO1.CCC.F.FF.FF.FF
InChIInChI=1S/C5H9NO.C3H8.3F2.FH/c1-5(2)3-6-4-7-5;1-3-2;3*1-2;/h4H,3H2,1-2H3;3H2,1-2H3;;;;1H
InChIKeySYZLHGVUZULTSZ-UHFFFAOYSA-N
MW277.22 g/mol
LogP4.91
Rot. Bonds

About 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride

5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride (PubChem CID 160976916) has the molecular formula C8H18F7NO and a molecular weight of 277.22 g/mol. Its IUPAC name is 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride.

Molecular Properties

Compound Name5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride
PubChem CID160976916
Molecular FormulaC8H18F7NO
Molecular Weight277.22 g/mol
Exact Mass277.13
IUPAC Name5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride
SMILESCC1(C)CN=CO1.CCC.F.FF.FF.FF
InChIInChI=1S/C5H9NO.C3H8.3F2.FH/c1-5(2)3-6-4-7-5;1-3-2;3*1-2;/h4H,3H2,1-2H3;3H2,1-2H3;;;;1H
InChIKeySYZLHGVUZULTSZ-UHFFFAOYSA-N
XLogP4.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride?
The IUPAC name of 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride (CID 160976916) is 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride.
What is the SMILES notation for 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride?
The canonical SMILES for 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride is CC1(C)CN=CO1.CCC.F.FF.FF.FF.
What is the InChIKey of 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride?
The InChIKey is SYZLHGVUZULTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H8.3F2.FH/c1-5(2)3-6-4-7-5;1-3-2;3*1-2;/h4H,3H2,1-2H3;3H2,1-2H3;;;;1H.
What are the key properties of 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride?
5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride has a molecular weight of 277.22 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4H-1,3-oxazole;molecular fluorine;propane;hydrofluoride is sourced from PubChem (CID 160976916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).