4-(4-chlorobutan-2-yl)morpholine

C8H16ClNO — CID 23334081

IUPAC4-(4-chlorobutan-2-yl)morpholine
SMILESCC(CCCl)N1CCOCC1
InChIInChI=1S/C8H16ClNO/c1-8(2-3-9)10-4-6-11-7-5-10/h8H,2-7H2,1H3
InChIKeyBOUMJRPCZKXCCV-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds3

About 4-(4-chlorobutan-2-yl)morpholine

4-(4-chlorobutan-2-yl)morpholine (PubChem CID 23334081) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-(4-chlorobutan-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chlorobutan-2-yl)morpholine
PubChem CID23334081
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-(4-chlorobutan-2-yl)morpholine
SMILESCC(CCCl)N1CCOCC1
InChIInChI=1S/C8H16ClNO/c1-8(2-3-9)10-4-6-11-7-5-10/h8H,2-7H2,1H3
InChIKeyBOUMJRPCZKXCCV-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-(4-chlorobutan-2-yl)morpholine?
The IUPAC name of 4-(4-chlorobutan-2-yl)morpholine (CID 23334081) is 4-(4-chlorobutan-2-yl)morpholine.
What is the SMILES notation for 4-(4-chlorobutan-2-yl)morpholine?
The canonical SMILES for 4-(4-chlorobutan-2-yl)morpholine is CC(CCCl)N1CCOCC1.
What is the InChIKey of 4-(4-chlorobutan-2-yl)morpholine?
The InChIKey is BOUMJRPCZKXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-8(2-3-9)10-4-6-11-7-5-10/h8H,2-7H2,1H3.
What are the key properties of 4-(4-chlorobutan-2-yl)morpholine?
4-(4-chlorobutan-2-yl)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-(4-chlorobutan-2-yl)morpholine is sourced from PubChem (CID 23334081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).