4-(3-chlorobutyl)morpholine

C8H16ClNO — CID 15104446

IUPAC4-(3-chlorobutyl)morpholine
SMILESCC(Cl)CCN1CCOCC1
InChIInChI=1S/C8H16ClNO/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7H2,1H3
InChIKeyCVMHERQXIXHWKY-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds3

About 4-(3-chlorobutyl)morpholine

4-(3-chlorobutyl)morpholine (PubChem CID 15104446) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-(3-chlorobutyl)morpholine.

Molecular Properties

Compound Name4-(3-chlorobutyl)morpholine
PubChem CID15104446
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-(3-chlorobutyl)morpholine
SMILESCC(Cl)CCN1CCOCC1
InChIInChI=1S/C8H16ClNO/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7H2,1H3
InChIKeyCVMHERQXIXHWKY-UHFFFAOYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
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-(3-chlorobutyl)morpholine?
The IUPAC name of 4-(3-chlorobutyl)morpholine (CID 15104446) is 4-(3-chlorobutyl)morpholine.
What is the SMILES notation for 4-(3-chlorobutyl)morpholine?
The canonical SMILES for 4-(3-chlorobutyl)morpholine is CC(Cl)CCN1CCOCC1.
What is the InChIKey of 4-(3-chlorobutyl)morpholine?
The InChIKey is CVMHERQXIXHWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-8(9)2-3-10-4-6-11-7-5-10/h8H,2-7H2,1H3.
What are the key properties of 4-(3-chlorobutyl)morpholine?
4-(3-chlorobutyl)morpholine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorobutyl)morpholine is sourced from PubChem (CID 15104446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).