2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine

C8H13ClF3NO — CID 81210407

IUPAC2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine
SMILESCC1COC(CCl)CN1CC(F)(F)F
InChIInChI=1S/C8H13ClF3NO/c1-6-4-14-7(2-9)3-13(6)5-8(10,11)12/h6-7H,2-5H2,1H3
InChIKeyANLOBXWHNMPXCV-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.88
Rot. Bonds2

About 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine

2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine (PubChem CID 81210407) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine
PubChem CID81210407
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine
SMILESCC1COC(CCl)CN1CC(F)(F)F
InChIInChI=1S/C8H13ClF3NO/c1-6-4-14-7(2-9)3-13(6)5-8(10,11)12/h6-7H,2-5H2,1H3
InChIKeyANLOBXWHNMPXCV-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.88
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-(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine (CID 81210407) is 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine is CC1COC(CCl)CN1CC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine?
The InChIKey is ANLOBXWHNMPXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO/c1-6-4-14-7(2-9)3-13(6)5-8(10,11)12/h6-7H,2-5H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine?
2-(chloromethyl)-5-methyl-4-(2,2,2-trifluoroethyl)morpholine has a molecular weight of 231.64 g/mol, XLogP of 1.88, 2 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-(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 81210407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).