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

C7H11ClF3NO — CID 81209469

IUPAC2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine
SMILESFC(F)(F)CN1CCOC(CCl)C1
InChIInChI=1S/C7H11ClF3NO/c8-3-6-4-12(1-2-13-6)5-7(9,10)11/h6H,1-5H2
InChIKeySUJWRSCMFWQHRG-UHFFFAOYSA-N
MW217.62 g/mol
LogP1.49
Rot. Bonds2

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

2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine (PubChem CID 81209469) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine
PubChem CID81209469
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine
SMILESFC(F)(F)CN1CCOC(CCl)C1
InChIInChI=1S/C7H11ClF3NO/c8-3-6-4-12(1-2-13-6)5-7(9,10)11/h6H,1-5H2
InChIKeySUJWRSCMFWQHRG-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 51.49
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-(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine (CID 81209469) is 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine is FC(F)(F)CN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine?
The InChIKey is SUJWRSCMFWQHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF3NO/c8-3-6-4-12(1-2-13-6)5-7(9,10)11/h6H,1-5H2.
What are the key properties of 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine?
2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine has a molecular weight of 217.62 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 81209469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).