[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride

C8H15Cl2FN4O — CID 122199283

IUPAC[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCc1nnc(N2CC(F)CC2CN)o1.Cl.Cl
InChIInChI=1S/C8H13FN4O.2ClH/c1-5-11-12-8(14-5)13-4-6(9)2-7(13)3-10;;/h6-7H,2-4,10H2,1H3;2*1H
InChIKeyKCCNPTSHKDJVIR-UHFFFAOYSA-N
MW273.14 g/mol
LogP1.10
Rot. Bonds2

About [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride

[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride (PubChem CID 122199283) has the molecular formula C8H15Cl2FN4O and a molecular weight of 273.14 g/mol. Its IUPAC name is [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride
PubChem CID122199283
Molecular FormulaC8H15Cl2FN4O
Molecular Weight273.14 g/mol
Exact Mass272.06
IUPAC Name[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCc1nnc(N2CC(F)CC2CN)o1.Cl.Cl
InChIInChI=1S/C8H13FN4O.2ClH/c1-5-11-12-8(14-5)13-4-6(9)2-7(13)3-10;;/h6-7H,2-4,10H2,1H3;2*1H
InChIKeyKCCNPTSHKDJVIR-UHFFFAOYSA-N
XLogP1.10
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride (CID 122199283) is [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride is Cc1nnc(N2CC(F)CC2CN)o1.Cl.Cl.
What is the InChIKey of [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride?
The InChIKey is KCCNPTSHKDJVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O.2ClH/c1-5-11-12-8(14-5)13-4-6(9)2-7(13)3-10;;/h6-7H,2-4,10H2,1H3;2*1H.
What are the key properties of [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride?
[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride has a molecular weight of 273.14 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 122199283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).