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

C8H13ClF3NO — CID 81209578

IUPAC2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine
SMILESFC(F)(F)CCN1CCOC(CCl)C1
InChIInChI=1S/C8H13ClF3NO/c9-5-7-6-13(3-4-14-7)2-1-8(10,11)12/h7H,1-6H2
InChIKeyXBKTYRMNVZQUMT-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.88
Rot. Bonds3

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

2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine (PubChem CID 81209578) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine
PubChem CID81209578
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine
SMILESFC(F)(F)CCN1CCOC(CCl)C1
InChIInChI=1S/C8H13ClF3NO/c9-5-7-6-13(3-4-14-7)2-1-8(10,11)12/h7H,1-6H2
InChIKeyXBKTYRMNVZQUMT-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine (CID 81209578) is 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine is FC(F)(F)CCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine?
The InChIKey is XBKTYRMNVZQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO/c9-5-7-6-13(3-4-14-7)2-1-8(10,11)12/h7H,1-6H2.
What are the key properties of 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine?
2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine has a molecular weight of 231.64 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3,3,3-trifluoropropyl)morpholine is sourced from PubChem (CID 81209578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).