(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine

C11H13F2NO — CID 96905346

IUPAC(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine
SMILESC[C@@]1(c2ccc(F)c(F)c2)COCCN1
InChIInChI=1S/C11H13F2NO/c1-11(7-15-5-4-14-11)8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7H2,1H3/t11-/m0/s1
InChIKeyMAULMVLBGOAZTC-NSHDSACASA-N
MW213.23 g/mol
LogP1.80
Rot. Bonds1

About (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine

(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine (PubChem CID 96905346) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine
PubChem CID96905346
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine
SMILESC[C@@]1(c2ccc(F)c(F)c2)COCCN1
InChIInChI=1S/C11H13F2NO/c1-11(7-15-5-4-14-11)8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7H2,1H3/t11-/m0/s1
InChIKeyMAULMVLBGOAZTC-NSHDSACASA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine?
The IUPAC name of (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine (CID 96905346) is (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine.
What is the SMILES notation for (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine?
The canonical SMILES for (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine is C[C@@]1(c2ccc(F)c(F)c2)COCCN1.
What is the InChIKey of (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine?
The InChIKey is MAULMVLBGOAZTC-NSHDSACASA-N. The full InChI is InChI=1S/C11H13F2NO/c1-11(7-15-5-4-14-11)8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine?
(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine has a molecular weight of 213.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-difluorophenyl)-3-methylmorpholine is sourced from PubChem (CID 96905346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).