2-(chloromethyl)-4-(2-fluoroethyl)morpholine

C7H13ClFNO — CID 81210361

IUPAC2-(chloromethyl)-4-(2-fluoroethyl)morpholine
SMILESFCCN1CCOC(CCl)C1
InChIInChI=1S/C7H13ClFNO/c8-5-7-6-10(2-1-9)3-4-11-7/h7H,1-6H2
InChIKeyHKZPMDUFOUOQQU-UHFFFAOYSA-N
MW181.64 g/mol
LogP0.90
Rot. Bonds3

About 2-(chloromethyl)-4-(2-fluoroethyl)morpholine

2-(chloromethyl)-4-(2-fluoroethyl)morpholine (PubChem CID 81210361) has the molecular formula C7H13ClFNO and a molecular weight of 181.64 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-fluoroethyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-fluoroethyl)morpholine
PubChem CID81210361
Molecular FormulaC7H13ClFNO
Molecular Weight181.64 g/mol
Exact Mass181.07
IUPAC Name2-(chloromethyl)-4-(2-fluoroethyl)morpholine
SMILESFCCN1CCOC(CCl)C1
InChIInChI=1S/C7H13ClFNO/c8-5-7-6-10(2-1-9)3-4-11-7/h7H,1-6H2
InChIKeyHKZPMDUFOUOQQU-UHFFFAOYSA-N
XLogP0.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 50.90
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 2-(chloromethyl)-4-(2-fluoroethyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(2-fluoroethyl)morpholine (CID 81210361) is 2-(chloromethyl)-4-(2-fluoroethyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-fluoroethyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2-fluoroethyl)morpholine is FCCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(2-fluoroethyl)morpholine?
The InChIKey is HKZPMDUFOUOQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFNO/c8-5-7-6-10(2-1-9)3-4-11-7/h7H,1-6H2.
What are the key properties of 2-(chloromethyl)-4-(2-fluoroethyl)morpholine?
2-(chloromethyl)-4-(2-fluoroethyl)morpholine has a molecular weight of 181.64 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-fluoroethyl)morpholine is sourced from PubChem (CID 81210361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).