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

C11H18F2N4 — CID 156745997

IUPACcis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine
SMILESCC(C)c1cn([C@H]2CCCC(F)(F)[C@@H]2N)nn1
InChIInChI=1S/C11H18F2N4/c1-7(2)8-6-17(16-15-8)9-4-3-5-11(12,13)10(9)14/h6-7,9-10H,3-5,14H2,1-2H3/t9-,10+/m0/s1
InChIKeySJZFYONSHZVIBC-VHSXEESVSA-N
MW244.29 g/mol
LogP2.09
Rot. Bonds2

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

cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine (PubChem CID 156745997) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine
PubChem CID156745997
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Namecis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine
SMILESCC(C)c1cn([C@H]2CCCC(F)(F)[C@@H]2N)nn1
InChIInChI=1S/C11H18F2N4/c1-7(2)8-6-17(16-15-8)9-4-3-5-11(12,13)10(9)14/h6-7,9-10H,3-5,14H2,1-2H3/t9-,10+/m0/s1
InChIKeySJZFYONSHZVIBC-VHSXEESVSA-N
XLogP2.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.09
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-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine (CID 156745997) is cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine is CC(C)c1cn([C@H]2CCCC(F)(F)[C@@H]2N)nn1.
What is the InChIKey of cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine?
The InChIKey is SJZFYONSHZVIBC-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-7(2)8-6-17(16-15-8)9-4-3-5-11(12,13)10(9)14/h6-7,9-10H,3-5,14H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine?
cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine has a molecular weight of 244.29 g/mol, XLogP of 2.09, 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-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 156745997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).