2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine

C9H17ClFNO — CID 81211116

IUPAC2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CCCF
InChIInChI=1S/C9H17ClFNO/c1-8-7-13-9(5-10)6-12(8)4-2-3-11/h8-9H,2-7H2,1H3
InChIKeyMYYLNKLAUIJHSJ-UHFFFAOYSA-N
MW209.69 g/mol
LogP1.67
Rot. Bonds4

About 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine

2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine (PubChem CID 81211116) has the molecular formula C9H17ClFNO and a molecular weight of 209.69 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine
PubChem CID81211116
Molecular FormulaC9H17ClFNO
Molecular Weight209.69 g/mol
Exact Mass209.10
IUPAC Name2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CCCF
InChIInChI=1S/C9H17ClFNO/c1-8-7-13-9(5-10)6-12(8)4-2-3-11/h8-9H,2-7H2,1H3
InChIKeyMYYLNKLAUIJHSJ-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.69
LogP ≤ 51.67
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)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine (CID 81211116) is 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine is CC1COC(CCl)CN1CCCF.
What is the InChIKey of 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine?
The InChIKey is MYYLNKLAUIJHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClFNO/c1-8-7-13-9(5-10)6-12(8)4-2-3-11/h8-9H,2-7H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine?
2-(chloromethyl)-4-(3-fluoropropyl)-5-methylmorpholine has a molecular weight of 209.69 g/mol, XLogP of 1.67, 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)-5-methylmorpholine is sourced from PubChem (CID 81211116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).