2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine

C10H13F6N3O — CID 59777423

IUPAC2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
SMILESCC(C)(C)N[C@@H](Cc1nc(C(F)(F)F)no1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O/c1-8(2,3)18-5(9(11,12)13)4-6-17-7(19-20-6)10(14,15)16/h5,18H,4H2,1-3H3/t5-/m0/s1
InChIKeyWAAMRXJOMCQRAR-YFKPBYRVSA-N
MW305.22 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine

2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine (PubChem CID 59777423) has the molecular formula C10H13F6N3O and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
PubChem CID59777423
Molecular FormulaC10H13F6N3O
Molecular Weight305.22 g/mol
Exact Mass305.10
IUPAC Name2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
SMILESCC(C)(C)N[C@@H](Cc1nc(C(F)(F)F)no1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O/c1-8(2,3)18-5(9(11,12)13)4-6-17-7(19-20-6)10(14,15)16/h5,18H,4H2,1-3H3/t5-/m0/s1
InChIKeyWAAMRXJOMCQRAR-YFKPBYRVSA-N
XLogP2.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine (CID 59777423) is 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine is CC(C)(C)N[C@@H](Cc1nc(C(F)(F)F)no1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
The InChIKey is WAAMRXJOMCQRAR-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H13F6N3O/c1-8(2,3)18-5(9(11,12)13)4-6-17-7(19-20-6)10(14,15)16/h5,18H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine has a molecular weight of 305.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine is sourced from PubChem (CID 59777423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).