5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride

C7H14F7NO — CID 161434592

IUPAC5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride
SMILESCC(C)C1(C)CN=CO1.F.FF.FF.FF
InChIInChI=1S/C7H13NO.3F2.FH/c1-6(2)7(3)4-8-5-9-7;3*1-2;/h5-6H,4H2,1-3H3;;;;1H
InChIKeyVYLZTPXGYNAYKR-UHFFFAOYSA-N
MW261.18 g/mol
LogP4.13
Rot. Bonds1

About 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride

5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride (PubChem CID 161434592) has the molecular formula C7H14F7NO and a molecular weight of 261.18 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride
PubChem CID161434592
Molecular FormulaC7H14F7NO
Molecular Weight261.18 g/mol
Exact Mass261.10
IUPAC Name5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride
SMILESCC(C)C1(C)CN=CO1.F.FF.FF.FF
InChIInChI=1S/C7H13NO.3F2.FH/c1-6(2)7(3)4-8-5-9-7;3*1-2;/h5-6H,4H2,1-3H3;;;;1H
InChIKeyVYLZTPXGYNAYKR-UHFFFAOYSA-N
XLogP4.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-5-propan-2-yl-4H-1,3-oxazole
CID 68101719
5-ethyl-5-methyl-4H-1,3-oxazole
CID 126686768
5,5-dimethyl-4H-1,3-oxazole;ethane;molecular fluorine;hydrofluoride
CID 160956743
Methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride
CID 162021633

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride?
The IUPAC name of 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride (CID 161434592) is 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride.
What is the SMILES notation for 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride?
The canonical SMILES for 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride is CC(C)C1(C)CN=CO1.F.FF.FF.FF.
What is the InChIKey of 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride?
The InChIKey is VYLZTPXGYNAYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.3F2.FH/c1-6(2)7(3)4-8-5-9-7;3*1-2;/h5-6H,4H2,1-3H3;;;;1H.
What are the key properties of 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride?
5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride has a molecular weight of 261.18 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yl-4H-1,3-oxazole;molecular fluorine;hydrofluoride is sourced from PubChem (CID 161434592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).