(6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide

C13H17FN2O2 — CID 71919359

IUPAC(6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2F)CC(C(N)=O)O1
InChIInChI=1S/C13H17FN2O2/c1-9-6-16(8-12(18-9)13(15)17)7-10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H2,15,17)/t9-,12?/m1/s1
InChIKeyRQEURHBQNOSDOS-PKEIRNPWSA-N
MW252.29 g/mol
LogP0.90
Rot. Bonds3

About (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide

(6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 71919359) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide
PubChem CID71919359
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2F)CC(C(N)=O)O1
InChIInChI=1S/C13H17FN2O2/c1-9-6-16(8-12(18-9)13(15)17)7-10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H2,15,17)/t9-,12?/m1/s1
InChIKeyRQEURHBQNOSDOS-PKEIRNPWSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide (CID 71919359) is (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(Cc2ccccc2F)CC(C(N)=O)O1.
What is the InChIKey of (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is RQEURHBQNOSDOS-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-6-16(8-12(18-9)13(15)17)7-10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H2,15,17)/t9-,12?/m1/s1.
What are the key properties of (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide?
(6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(2-fluorophenyl)methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 71919359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).