4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole

C6H10FNO — CID 126540249

IUPAC4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(C)C1F
InChIInChI=1S/C6H10FNO/c1-4-5(7)6(2,3)9-8-4/h5H,1-3H3
InChIKeyUXXFQGJXHAOXCP-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.51
Rot. Bonds

About 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole

4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole (PubChem CID 126540249) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole
PubChem CID126540249
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(C)C1F
InChIInChI=1S/C6H10FNO/c1-4-5(7)6(2,3)9-8-4/h5H,1-3H3
InChIKeyUXXFQGJXHAOXCP-UHFFFAOYSA-N
XLogP1.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-4-oxa-5-azaspiro[2.4]hept-5-ene
CID 13530149
3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58815447
3-(Fluoromethyl)-5-methyl-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 90303046
3-ethyl-5-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 118604393
3,5-dimethyl-5-(trifluoromethyl)-4H-1,2-oxazole;ethane
CID 153380627
3,5,5-Trimethyl-4,5-dihydroisoxazole 2-oxide
CID 171666009
3,5,5-trimethyl-4H-1,2-oxazole
CID 12228203
3,4,5,5-tetramethyl-4H-1,2-oxazole
CID 14916920
3-ethyl-5,5-dimethyl-4H-1,2-oxazole
CID 20811480
5-ethyl-3,5-dimethyl-4H-1,2-oxazole
CID 54486412
5,5-diethyl-3-methyl-4H-1,2-oxazole
CID 118298735
ethane;3,5,5-trimethyl-4H-1,2-oxazole
CID 143045754

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole?
The IUPAC name of 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole (CID 126540249) is 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole.
What is the SMILES notation for 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole?
The canonical SMILES for 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole is CC1=NOC(C)(C)C1F.
What is the InChIKey of 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole?
The InChIKey is UXXFQGJXHAOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4-5(7)6(2,3)9-8-4/h5H,1-3H3.
What are the key properties of 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole?
4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole has a molecular weight of 131.15 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5,5-trimethyl-4H-1,2-oxazole is sourced from PubChem (CID 126540249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).