1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C7H10ClF2N3O — CID 71757430

IUPAC1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C(F)F)n2)CCC1
InChIInChI=1S/C7H9F2N3O.ClH/c8-4(9)5-11-6(12-13-5)7(10)2-1-3-7;/h4H,1-3,10H2;1H
InChIKeyQXPLCQINRQVZJU-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.77
Rot. Bonds2

About 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 71757430) has the molecular formula C7H10ClF2N3O and a molecular weight of 225.63 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID71757430
Molecular FormulaC7H10ClF2N3O
Molecular Weight225.63 g/mol
Exact Mass225.05
IUPAC Name1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C(F)F)n2)CCC1
InChIInChI=1S/C7H9F2N3O.ClH/c8-4(9)5-11-6(12-13-5)7(10)2-1-3-7;/h4H,1-3,10H2;1H
InChIKeyQXPLCQINRQVZJU-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 71757430) is 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(C(F)F)n2)CCC1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is QXPLCQINRQVZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O.ClH/c8-4(9)5-11-6(12-13-5)7(10)2-1-3-7;/h4H,1-3,10H2;1H.
What are the key properties of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 225.63 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 71757430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).