(6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid

C13H19F2NO4 — CID 120536295

IUPAC(6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC(C(=O)O)O1
InChIInChI=1S/C13H19F2NO4/c1-8-6-16(7-10(20-8)12(18)19)11(17)9-2-4-13(14,15)5-3-9/h8-10H,2-7H2,1H3,(H,18,19)/t8-,10?/m1/s1
InChIKeyWYUACKZCWZENTF-HNHGDDPOSA-N
MW291.29 g/mol
LogP1.51
Rot. Bonds2

About (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid

(6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536295) has the molecular formula C13H19F2NO4 and a molecular weight of 291.29 g/mol. Its IUPAC name is (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid
PubChem CID120536295
Molecular FormulaC13H19F2NO4
Molecular Weight291.29 g/mol
Exact Mass291.13
IUPAC Name(6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC(C(=O)O)O1
InChIInChI=1S/C13H19F2NO4/c1-8-6-16(7-10(20-8)12(18)19)11(17)9-2-4-13(14,15)5-3-9/h8-10H,2-7H2,1H3,(H,18,19)/t8-,10?/m1/s1
InChIKeyWYUACKZCWZENTF-HNHGDDPOSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid (CID 120536295) is (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid is C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC(C(=O)O)O1.
What is the InChIKey of (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid?
The InChIKey is WYUACKZCWZENTF-HNHGDDPOSA-N. The full InChI is InChI=1S/C13H19F2NO4/c1-8-6-16(7-10(20-8)12(18)19)11(17)9-2-4-13(14,15)5-3-9/h8-10H,2-7H2,1H3,(H,18,19)/t8-,10?/m1/s1.
What are the key properties of (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid?
(6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid has a molecular weight of 291.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(4,4-difluorocyclohexanecarbonyl)-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).