N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine

C10H16F3N3O — CID 79954735

IUPACN-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-7(2)14-6-4-9-15-8(16-17-9)3-5-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyQYYPFTSUDDVNRQ-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.11
Rot. Bonds6

About N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine

N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 79954735) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID79954735
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-7(2)14-6-4-9-15-8(16-17-9)3-5-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyQYYPFTSUDDVNRQ-UHFFFAOYSA-N
XLogP2.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 79954735) is N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is QYYPFTSUDDVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7(2)14-6-4-9-15-8(16-17-9)3-5-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 79954735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).