cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine

C15H27F2N3 — CID 156745893

IUPACcis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine
SMILESCC(C)N1CC2CN([C@H]3CCCC(F)(F)[C@@H]3N)CC2C1
InChIInChI=1S/C15H27F2N3/c1-10(2)19-6-11-8-20(9-12(11)7-19)13-4-3-5-15(16,17)14(13)18/h10-14H,3-9,18H2,1-2H3/t11?,12?,13-,14+/m0/s1
InChIKeyOTCQPQFSEFIAHV-CLRIEMFWSA-N
MW287.40 g/mol
LogP1.77
Rot. Bonds2

About cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine

cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine (PubChem CID 156745893) has the molecular formula C15H27F2N3 and a molecular weight of 287.40 g/mol. Its IUPAC name is cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine
PubChem CID156745893
Molecular FormulaC15H27F2N3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Namecis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine
SMILESCC(C)N1CC2CN([C@H]3CCCC(F)(F)[C@@H]3N)CC2C1
InChIInChI=1S/C15H27F2N3/c1-10(2)19-6-11-8-20(9-12(11)7-19)13-4-3-5-15(16,17)14(13)18/h10-14H,3-9,18H2,1-2H3/t11?,12?,13-,14+/m0/s1
InChIKeyOTCQPQFSEFIAHV-CLRIEMFWSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine (CID 156745893) is cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine is CC(C)N1CC2CN([C@H]3CCCC(F)(F)[C@@H]3N)CC2C1.
What is the InChIKey of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine?
The InChIKey is OTCQPQFSEFIAHV-CLRIEMFWSA-N. The full InChI is InChI=1S/C15H27F2N3/c1-10(2)19-6-11-8-20(9-12(11)7-19)13-4-3-5-15(16,17)14(13)18/h10-14H,3-9,18H2,1-2H3/t11?,12?,13-,14+/m0/s1.
What are the key properties of cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine?
cis-(1R,6S)-2,2-difluoro-6-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 1.77, 2 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-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 156745893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).