4-[(2S)-1-chloropropan-2-yl]morpholine

C7H14ClNO — CID 51673805

IUPAC4-[(2S)-1-chloropropan-2-yl]morpholine
SMILESC[C@@H](CCl)N1CCOCC1
InChIInChI=1S/C7H14ClNO/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyPTZCJFNGSYXQBD-ZETCQYMHSA-N
MW163.65 g/mol
LogP0.95
Rot. Bonds2

About 4-[(2S)-1-chloropropan-2-yl]morpholine

4-[(2S)-1-chloropropan-2-yl]morpholine (PubChem CID 51673805) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 4-[(2S)-1-chloropropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2S)-1-chloropropan-2-yl]morpholine
PubChem CID51673805
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name4-[(2S)-1-chloropropan-2-yl]morpholine
SMILESC[C@@H](CCl)N1CCOCC1
InChIInChI=1S/C7H14ClNO/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyPTZCJFNGSYXQBD-ZETCQYMHSA-N
XLogP0.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.95
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 4-[(2S)-1-chloropropan-2-yl]morpholine?
The IUPAC name of 4-[(2S)-1-chloropropan-2-yl]morpholine (CID 51673805) is 4-[(2S)-1-chloropropan-2-yl]morpholine.
What is the SMILES notation for 4-[(2S)-1-chloropropan-2-yl]morpholine?
The canonical SMILES for 4-[(2S)-1-chloropropan-2-yl]morpholine is C[C@@H](CCl)N1CCOCC1.
What is the InChIKey of 4-[(2S)-1-chloropropan-2-yl]morpholine?
The InChIKey is PTZCJFNGSYXQBD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 4-[(2S)-1-chloropropan-2-yl]morpholine?
4-[(2S)-1-chloropropan-2-yl]morpholine has a molecular weight of 163.65 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-chloropropan-2-yl]morpholine is sourced from PubChem (CID 51673805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).