2-(chloromethyl)-4-(3-fluoropropyl)morpholine

C8H15ClFNO — CID 81214357

IUPAC2-(chloromethyl)-4-(3-fluoropropyl)morpholine
SMILESFCCCN1CCOC(CCl)C1
InChIInChI=1S/C8H15ClFNO/c9-6-8-7-11(3-1-2-10)4-5-12-8/h8H,1-7H2
InChIKeyHHLOVXUKBCZVFK-UHFFFAOYSA-N
MW195.66 g/mol
LogP1.29
Rot. Bonds4

About 2-(chloromethyl)-4-(3-fluoropropyl)morpholine

2-(chloromethyl)-4-(3-fluoropropyl)morpholine (PubChem CID 81214357) has the molecular formula C8H15ClFNO and a molecular weight of 195.66 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-fluoropropyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-fluoropropyl)morpholine
PubChem CID81214357
Molecular FormulaC8H15ClFNO
Molecular Weight195.66 g/mol
Exact Mass195.08
IUPAC Name2-(chloromethyl)-4-(3-fluoropropyl)morpholine
SMILESFCCCN1CCOC(CCl)C1
InChIInChI=1S/C8H15ClFNO/c9-6-8-7-11(3-1-2-10)4-5-12-8/h8H,1-7H2
InChIKeyHHLOVXUKBCZVFK-UHFFFAOYSA-N
XLogP1.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.66
LogP ≤ 51.29
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-(3-fluoropropyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(3-fluoropropyl)morpholine (CID 81214357) is 2-(chloromethyl)-4-(3-fluoropropyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3-fluoropropyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3-fluoropropyl)morpholine is FCCCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(3-fluoropropyl)morpholine?
The InChIKey is HHLOVXUKBCZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFNO/c9-6-8-7-11(3-1-2-10)4-5-12-8/h8H,1-7H2.
What are the key properties of 2-(chloromethyl)-4-(3-fluoropropyl)morpholine?
2-(chloromethyl)-4-(3-fluoropropyl)morpholine has a molecular weight of 195.66 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3-fluoropropyl)morpholine is sourced from PubChem (CID 81214357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).