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

C10H14F4N2O2 — CID 55077556

IUPACN-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC(F)(F)C(F)F)on1
InChIInChI=1S/C10H14F4N2O2/c1-2-15-4-7-3-8(18-16-7)5-17-6-10(13,14)9(11)12/h3,9,15H,2,4-6H2,1H3
InChIKeySHZGCMKHMBTVKC-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.20
Rot. Bonds8

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

N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 55077556) has the molecular formula C10H14F4N2O2 and a molecular weight of 270.23 g/mol. Its IUPAC name is N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID55077556
Molecular FormulaC10H14F4N2O2
Molecular Weight270.23 g/mol
Exact Mass270.10
IUPAC NameN-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC(F)(F)C(F)F)on1
InChIInChI=1S/C10H14F4N2O2/c1-2-15-4-7-3-8(18-16-7)5-17-6-10(13,14)9(11)12/h3,9,15H,2,4-6H2,1H3
InChIKeySHZGCMKHMBTVKC-UHFFFAOYSA-N
XLogP2.20
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 55077556) is N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COCC(F)(F)C(F)F)on1.
What is the InChIKey of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is SHZGCMKHMBTVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2O2/c1-2-15-4-7-3-8(18-16-7)5-17-6-10(13,14)9(11)12/h3,9,15H,2,4-6H2,1H3.
What are the key properties of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 270.23 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 55077556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).