[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine

C4H6FN3O — CID 118699745

IUPAC[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CF)o1
InChIInChI=1S/C4H6FN3O/c5-1-3-7-8-4(2-6)9-3/h1-2,6H2
InChIKeyJWVBNGUHUPRVDJ-UHFFFAOYSA-N
MW131.11 g/mol
LogP-0.00
Rot. Bonds2

About [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 118699745) has the molecular formula C4H6FN3O and a molecular weight of 131.11 g/mol. Its IUPAC name is [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID118699745
Molecular FormulaC4H6FN3O
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CF)o1
InChIInChI=1S/C4H6FN3O/c5-1-3-7-8-4(2-6)9-3/h1-2,6H2
InChIKeyJWVBNGUHUPRVDJ-UHFFFAOYSA-N
XLogP-0.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]amine
CID 14442192
(5-Ethyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride
CID 44118438
(5-Ethyl-1,3,4-oxadiazol-2-YL)methanamine
CID 24254432
(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride
CID 20848010
(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-YL)methanamine
CID 55263777
[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62069871
[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070926
(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)methanamine hydrochloride
CID 86346248
[5-(Difluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102629988
[5-(Trifluoromethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630393
[5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 103310907
[5-(1,1,2,2,2-Pentafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 104632906

Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 118699745) is [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(CF)o1.
What is the InChIKey of [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is JWVBNGUHUPRVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3O/c5-1-3-7-8-4(2-6)9-3/h1-2,6H2.
What are the key properties of [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 131.11 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 118699745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).