(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine

C8H16ClNO — CID 53215608

IUPAC(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CCCl)C[C@H](C)O1
InChIInChI=1S/C8H16ClNO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyGSCDLDXSKMWJMV-OCAPTIKFSA-N
MW177.67 g/mol
LogP1.33
Rot. Bonds2

About (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine

(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine (PubChem CID 53215608) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
PubChem CID53215608
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CCCl)C[C@H](C)O1
InChIInChI=1S/C8H16ClNO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyGSCDLDXSKMWJMV-OCAPTIKFSA-N
XLogP1.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine (CID 53215608) is (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine is C[C@@H]1CN(CCCl)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine?
The InChIKey is GSCDLDXSKMWJMV-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine has a molecular weight of 177.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 53215608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).