cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

C11H17F2N3O — CID 156745948

IUPACcis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC(C)c1nc([C@H]2CCCC(F)(F)[C@@H]2N)no1
InChIInChI=1S/C11H17F2N3O/c1-6(2)10-15-9(16-17-10)7-4-3-5-11(12,13)8(7)14/h6-8H,3-5,14H2,1-2H3/t7-,8+/m0/s1
InChIKeyIJCDELSNRPRGER-JGVFFNPUSA-N
MW245.27 g/mol
LogP2.42
Rot. Bonds2

About cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (PubChem CID 156745948) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
PubChem CID156745948
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namecis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC(C)c1nc([C@H]2CCCC(F)(F)[C@@H]2N)no1
InChIInChI=1S/C11H17F2N3O/c1-6(2)10-15-9(16-17-10)7-4-3-5-11(12,13)8(7)14/h6-8H,3-5,14H2,1-2H3/t7-,8+/m0/s1
InChIKeyIJCDELSNRPRGER-JGVFFNPUSA-N
XLogP2.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (CID 156745948) is cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is CC(C)c1nc([C@H]2CCCC(F)(F)[C@@H]2N)no1.
What is the InChIKey of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The InChIKey is IJCDELSNRPRGER-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-6(2)10-15-9(16-17-10)7-4-3-5-11(12,13)8(7)14/h6-8H,3-5,14H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine has a molecular weight of 245.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 156745948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).