4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine

C12H18F2N2O — CID 70892619

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine
SMILESC[C@@H]1CN(C2=CCC(N)C(F)=C2F)C[C@H](C)O1
InChIInChI=1S/C12H18F2N2O/c1-7-5-16(6-8(2)17-7)10-4-3-9(15)11(13)12(10)14/h4,7-9H,3,5-6,15H2,1-2H3/t7-,8+,9?
InChIKeyLZRVMDXAZIXROI-JVHMLUBASA-N
MW244.28 g/mol
LogP1.86
Rot. Bonds1

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine (PubChem CID 70892619) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine
PubChem CID70892619
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine
SMILESC[C@@H]1CN(C2=CCC(N)C(F)=C2F)C[C@H](C)O1
InChIInChI=1S/C12H18F2N2O/c1-7-5-16(6-8(2)17-7)10-4-3-9(15)11(13)12(10)14/h4,7-9H,3,5-6,15H2,1-2H3/t7-,8+,9?
InChIKeyLZRVMDXAZIXROI-JVHMLUBASA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine (CID 70892619) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine is C[C@@H]1CN(C2=CCC(N)C(F)=C2F)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine?
The InChIKey is LZRVMDXAZIXROI-JVHMLUBASA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-7-5-16(6-8(2)17-7)10-4-3-9(15)11(13)12(10)14/h4,7-9H,3,5-6,15H2,1-2H3/t7-,8+,9?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine has a molecular weight of 244.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70892619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).