(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine

C14H19F2NO — CID 59545402

IUPAC(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
SMILESCCc1cc(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-4-11-5-12(15)14(13(16)6-11)17-7-9(2)18-10(3)8-17/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyOUFONVREBHEWAT-AOOOYVTPSA-N
MW255.31 g/mol
LogP3.14
Rot. Bonds2

About (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine

(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine (PubChem CID 59545402) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
PubChem CID59545402
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine
SMILESCCc1cc(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-4-11-5-12(15)14(13(16)6-11)17-7-9(2)18-10(3)8-17/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+
InChIKeyOUFONVREBHEWAT-AOOOYVTPSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine (CID 59545402) is (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine is CCc1cc(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1.
What is the InChIKey of (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine?
The InChIKey is OUFONVREBHEWAT-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-4-11-5-12(15)14(13(16)6-11)17-7-9(2)18-10(3)8-17/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10+.
What are the key properties of (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine has a molecular weight of 255.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(4-ethyl-2,6-difluorophenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59545402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).