1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine

C9H10F6N2O2 — CID 102723207

IUPAC1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COC(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C9H10F6N2O2/c1-16-3-5-2-6(19-17-5)4-18-7(8(10,11)12)9(13,14)15/h2,7,16H,3-4H2,1H3
InChIKeyUDNQJXMCKFGHIV-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.40
Rot. Bonds5

About 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 102723207) has the molecular formula C9H10F6N2O2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID102723207
Molecular FormulaC9H10F6N2O2
Molecular Weight292.18 g/mol
Exact Mass292.06
IUPAC Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COC(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C9H10F6N2O2/c1-16-3-5-2-6(19-17-5)4-18-7(8(10,11)12)9(13,14)15/h2,7,16H,3-4H2,1H3
InChIKeyUDNQJXMCKFGHIV-UHFFFAOYSA-N
XLogP2.40
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 102723198
N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
CID 62456814
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 102721456
1-[5-(3,3-dimethylbutoxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 66226402
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
1-[5-[(3,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62454455
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62454563
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55072783

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine (CID 102723207) is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(COC(C(F)(F)F)C(F)(F)F)on1.
What is the InChIKey of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is UDNQJXMCKFGHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2O2/c1-16-3-5-2-6(19-17-5)4-18-7(8(10,11)12)9(13,14)15/h2,7,16H,3-4H2,1H3.
What are the key properties of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).