2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine

C9H15ClF3NO — CID 81209606

IUPAC2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine
SMILESCC1COC(CCl)CN1CCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO/c1-7-6-15-8(4-10)5-14(7)3-2-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLBFVAGQTQYEHSP-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.27
Rot. Bonds3

About 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine

2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine (PubChem CID 81209606) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine
PubChem CID81209606
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC Name2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine
SMILESCC1COC(CCl)CN1CCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO/c1-7-6-15-8(4-10)5-14(7)3-2-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLBFVAGQTQYEHSP-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.27
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)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine (CID 81209606) is 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine is CC1COC(CCl)CN1CCC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine?
The InChIKey is LBFVAGQTQYEHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO/c1-7-6-15-8(4-10)5-14(7)3-2-9(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine?
2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine has a molecular weight of 245.67 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-(3,3,3-trifluoropropyl)morpholine is sourced from PubChem (CID 81209606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).