2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C9H13F2N3O — CID 153179785

IUPAC2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCC(N)C(F)(F)C2)n1
InChIInChI=1S/C9H13F2N3O/c1-5-13-8(15-14-5)6-2-3-7(12)9(10,11)4-6/h6-7H,2-4,12H2,1H3
InChIKeyWFXYOZIWHCWJAN-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.61
Rot. Bonds1

About 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 153179785) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID153179785
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCc1noc(C2CCC(N)C(F)(F)C2)n1
InChIInChI=1S/C9H13F2N3O/c1-5-13-8(15-14-5)6-2-3-7(12)9(10,11)4-6/h6-7H,2-4,12H2,1H3
InChIKeyWFXYOZIWHCWJAN-UHFFFAOYSA-N
XLogP1.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 153179785) is 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is Cc1noc(C2CCC(N)C(F)(F)C2)n1.
What is the InChIKey of 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is WFXYOZIWHCWJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-5-13-8(15-14-5)6-2-3-7(12)9(10,11)4-6/h6-7H,2-4,12H2,1H3.
What are the key properties of 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 217.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 153179785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).