cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine

C13H24F2N2O — CID 156745894

IUPACcis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
SMILESCC(C)N1CC[C@@H](O[C@H]2CCCC(F)(F)[C@@H]2N)C1
InChIInChI=1S/C13H24F2N2O/c1-9(2)17-7-5-10(8-17)18-11-4-3-6-13(14,15)12(11)16/h9-12H,3-8,16H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyDRKYVCRKFZBYBU-GRYCIOLGSA-N
MW262.34 g/mol
LogP2.00
Rot. Bonds3

About cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine

cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine (PubChem CID 156745894) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
PubChem CID156745894
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Namecis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
SMILESCC(C)N1CC[C@@H](O[C@H]2CCCC(F)(F)[C@@H]2N)C1
InChIInChI=1S/C13H24F2N2O/c1-9(2)17-7-5-10(8-17)18-11-4-3-6-13(14,15)12(11)16/h9-12H,3-8,16H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyDRKYVCRKFZBYBU-GRYCIOLGSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine?
The IUPAC name of cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine (CID 156745894) is cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine.
What is the SMILES notation for cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine?
The canonical SMILES for cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine is CC(C)N1CC[C@@H](O[C@H]2CCCC(F)(F)[C@@H]2N)C1.
What is the InChIKey of cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine?
The InChIKey is DRKYVCRKFZBYBU-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-9(2)17-7-5-10(8-17)18-11-4-3-6-13(14,15)12(11)16/h9-12H,3-8,16H2,1-2H3/t10-,11+,12-/m1/s1.
What are the key properties of cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine?
cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine has a molecular weight of 262.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine is sourced from PubChem (CID 156745894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).