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

C10H12F6N2O2 — CID 102723198

IUPACN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C10H12F6N2O2/c1-2-17-4-6-3-7(20-18-6)5-19-8(9(11,12)13)10(14,15)16/h3,8,17H,2,4-5H2,1H3
InChIKeyKSHJOPNYTYEFFF-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.79
Rot. Bonds6

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

N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 102723198) has the molecular formula C10H12F6N2O2 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID102723198
Molecular FormulaC10H12F6N2O2
Molecular Weight306.21 g/mol
Exact Mass306.08
IUPAC NameN-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC(C(F)(F)F)C(F)(F)F)on1
InChIInChI=1S/C10H12F6N2O2/c1-2-17-4-6-3-7(20-18-6)5-19-8(9(11,12)13)10(14,15)16/h3,8,17H,2,4-5H2,1H3
InChIKeyKSHJOPNYTYEFFF-UHFFFAOYSA-N
XLogP2.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

1,1,1-Trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
CID 2738631
{5-[(Tert-butoxy)methyl]-1,2-oxazol-3-yl}methanamine
CID 62457747
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanaminehydrochloride
CID 138040690
1-cyclopropyl-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-5-methylpyrrolidin-3-amine
CID 128701107
N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90325944
3-[(3,3-Difluoroazetidin-1-yl)methyl]-5-(1-ethoxyethyl)-1,2-oxazole
CID 166884990
(5-methyl-1,2-oxazol-3-yl)methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7221664
(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
CID 7221665
(5-methyl-1,2-oxazol-3-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7221666
(2R)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
CID 7221667
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55073205
N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077556

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 102723198) is N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COC(C(F)(F)F)C(F)(F)F)on1.
What is the InChIKey of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is KSHJOPNYTYEFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O2/c1-2-17-4-6-3-7(20-18-6)5-19-8(9(11,12)13)10(14,15)16/h3,8,17H,2,4-5H2,1H3.
What are the key properties of N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 306.21 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 102723198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).