[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine

C8H10F4N2O2 — CID 62458082

IUPAC[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCC(F)(F)C(F)F)on1
InChIInChI=1S/C8H10F4N2O2/c9-7(10)8(11,12)4-15-3-6-1-5(2-13)14-16-6/h1,7H,2-4,13H2
InChIKeyNLJBIGIKLFKTNZ-UHFFFAOYSA-N
MW242.17 g/mol
LogP1.55
Rot. Bonds6

About [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine

[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 62458082) has the molecular formula C8H10F4N2O2 and a molecular weight of 242.17 g/mol. Its IUPAC name is [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID62458082
Molecular FormulaC8H10F4N2O2
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Name[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCC(F)(F)C(F)F)on1
InChIInChI=1S/C8H10F4N2O2/c9-7(10)8(11,12)4-15-3-6-1-5(2-13)14-16-6/h1,7H,2-4,13H2
InChIKeyNLJBIGIKLFKTNZ-UHFFFAOYSA-N
XLogP1.55
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Isoxazole, 5-(methoxymethyl)-3-methyl-
CID 542401
{5-[(Tert-butoxy)methyl]-1,2-oxazol-3-yl}methanamine
CID 62457747
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanaminehydrochloride
CID 138040690
[3-(Aminomethyl)isoxazol-5-yl]methanol Hydrochloride
CID 177809230
Ethyl 3-(difluoromethyl)-1,2-oxazole-5-carboxylate
CID 132488689
Ethyl3-(azidomethyl)-1,2-oxazole-5-carboxylate
CID 23244986
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
N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
CID 62443878
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443879
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444064
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62444065

Frequently Asked Questions

What is the IUPAC name of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 62458082) is [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(COCC(F)(F)C(F)F)on1.
What is the InChIKey of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is NLJBIGIKLFKTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O2/c9-7(10)8(11,12)4-15-3-6-1-5(2-13)14-16-6/h1,7H,2-4,13H2.
What are the key properties of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine?
[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 242.17 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62458082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).