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

C10H13F6N3O — CID 103310924

IUPACN-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H13F6N3O/c1-2-4-17-5-3-6-18-19-8(20-6)7(9(11,12)13)10(14,15)16/h7,17H,2-5H2,1H3
InChIKeyKQPLJFLCYMLPOQ-UHFFFAOYSA-N
MW305.22 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 103310924) has the molecular formula C10H13F6N3O and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID103310924
Molecular FormulaC10H13F6N3O
Molecular Weight305.22 g/mol
Exact Mass305.10
IUPAC NameN-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C10H13F6N3O/c1-2-4-17-5-3-6-18-19-8(20-6)7(9(11,12)13)10(14,15)16/h7,17H,2-5H2,1H3
InChIKeyKQPLJFLCYMLPOQ-UHFFFAOYSA-N
XLogP2.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58689305
2-(Azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 105446626
2-(Azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169273849
2-methyl-N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55043788
N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62162240
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162372
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162385
N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162396
N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62162407
N-ethyl-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62163082
N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163094
N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163103

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 103310924) is N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(C(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is KQPLJFLCYMLPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N3O/c1-2-4-17-5-3-6-18-19-8(20-6)7(9(11,12)13)10(14,15)16/h7,17H,2-5H2,1H3.
What are the key properties of N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103310924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).