2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine

C8H14ClF2NO — CID 81209498

IUPAC2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CC(F)F
InChIInChI=1S/C8H14ClF2NO/c1-6-5-13-7(2-9)3-12(6)4-8(10)11/h6-8H,2-5H2,1H3
InChIKeyGXGMWKRTORBMAT-UHFFFAOYSA-N
MW213.65 g/mol
LogP1.58
Rot. Bonds3

About 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine

2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine (PubChem CID 81209498) has the molecular formula C8H14ClF2NO and a molecular weight of 213.65 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine
PubChem CID81209498
Molecular FormulaC8H14ClF2NO
Molecular Weight213.65 g/mol
Exact Mass213.07
IUPAC Name2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CC(F)F
InChIInChI=1S/C8H14ClF2NO/c1-6-5-13-7(2-9)3-12(6)4-8(10)11/h6-8H,2-5H2,1H3
InChIKeyGXGMWKRTORBMAT-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 51.58
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-difluoroethyl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine (CID 81209498) is 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine is CC1COC(CCl)CN1CC(F)F.
What is the InChIKey of 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine?
The InChIKey is GXGMWKRTORBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO/c1-6-5-13-7(2-9)3-12(6)4-8(10)11/h6-8H,2-5H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine?
2-(chloromethyl)-4-(2,2-difluoroethyl)-5-methylmorpholine has a molecular weight of 213.65 g/mol, XLogP of 1.58, 3 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-difluoroethyl)-5-methylmorpholine is sourced from PubChem (CID 81209498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).