(2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine

C16H23F2NO — CID 58279202

IUPAC(2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine
SMILESCC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1C(F)F
InChIInChI=1S/C16H23F2NO/c1-10(2)14-6-5-13(7-15(14)16(17)18)19-8-11(3)20-12(4)9-19/h5-7,10-12,16H,8-9H2,1-4H3/t11-,12+
InChIKeyMSXYMCWGYWFHOF-TXEJJXNPSA-N
MW283.36 g/mol
LogP4.36
Rot. Bonds3

About (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine

(2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine (PubChem CID 58279202) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine
PubChem CID58279202
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name(2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine
SMILESCC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1C(F)F
InChIInChI=1S/C16H23F2NO/c1-10(2)14-6-5-13(7-15(14)16(17)18)19-8-11(3)20-12(4)9-19/h5-7,10-12,16H,8-9H2,1-4H3/t11-,12+
InChIKeyMSXYMCWGYWFHOF-TXEJJXNPSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine (CID 58279202) is (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine is CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1C(F)F.
What is the InChIKey of (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine?
The InChIKey is MSXYMCWGYWFHOF-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-10(2)14-6-5-13(7-15(14)16(17)18)19-8-11(3)20-12(4)9-19/h5-7,10-12,16H,8-9H2,1-4H3/t11-,12+.
What are the key properties of (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine has a molecular weight of 283.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 58279202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).