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

C8H13F2N3O — CID 62162717

IUPACN-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-3-4-11-5(2)7-12-13-8(14-7)6(9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyCGHHYUCLNQJQLO-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.07
Rot. Bonds5

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

N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62162717) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62162717
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-3-4-11-5(2)7-12-13-8(14-7)6(9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyCGHHYUCLNQJQLO-UHFFFAOYSA-N
XLogP2.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethane-1,2-diamine
CID 70458407
(R)-tert-butyl (1-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
CID 59438763
tert-butyl N-[1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 68480393
1-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82184346
N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959787
(R)-1-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethanamine
CID 90445915
(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 94919811
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine
CID 176761360
1-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070080
1-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071135
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136861
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137035

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62162717) is N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(C(F)F)o1.
What is the InChIKey of N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is CGHHYUCLNQJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-3-4-11-5(2)7-12-13-8(14-7)6(9)10/h5-6,11H,3-4H2,1-2H3.
What are the key properties of N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 205.21 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62162717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).