(3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

C9H8ClF2N3O — CID 71757734

IUPAC(3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(F)c(F)c1)c1ncon1
InChIInChI=1S/C9H7F2N3O.ClH/c10-6-2-1-5(3-7(6)11)8(12)9-13-4-15-14-9;/h1-4,8H,12H2;1H
InChIKeyDXAFRDVLZKGRAR-UHFFFAOYSA-N
MW247.63 g/mol
LogP1.82
Rot. Bonds2

About (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

(3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 71757734) has the molecular formula C9H8ClF2N3O and a molecular weight of 247.63 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID71757734
Molecular FormulaC9H8ClF2N3O
Molecular Weight247.63 g/mol
Exact Mass247.03
IUPAC Name(3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NC(c1ccc(F)c(F)c1)c1ncon1
InChIInChI=1S/C9H7F2N3O.ClH/c10-6-2-1-5(3-7(6)11)8(12)9-13-4-15-14-9;/h1-4,8H,12H2;1H
InChIKeyDXAFRDVLZKGRAR-UHFFFAOYSA-N
XLogP1.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 71757734) is (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is Cl.NC(c1ccc(F)c(F)c1)c1ncon1.
What is the InChIKey of (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is DXAFRDVLZKGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O.ClH/c10-6-2-1-5(3-7(6)11)8(12)9-13-4-15-14-9;/h1-4,8H,12H2;1H.
What are the key properties of (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 247.63 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 71757734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).