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

C7H12ClF2NO — CID 81210969

IUPAC2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine
SMILESFC(F)CN1CCOC(CCl)C1
InChIInChI=1S/C7H12ClF2NO/c8-3-6-4-11(1-2-12-6)5-7(9)10/h6-7H,1-5H2
InChIKeyKAIBNOKINDDTJK-UHFFFAOYSA-N
MW199.63 g/mol
LogP1.19
Rot. Bonds3

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

2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine (PubChem CID 81210969) has the molecular formula C7H12ClF2NO and a molecular weight of 199.63 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine
PubChem CID81210969
Molecular FormulaC7H12ClF2NO
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Name2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine
SMILESFC(F)CN1CCOC(CCl)C1
InChIInChI=1S/C7H12ClF2NO/c8-3-6-4-11(1-2-12-6)5-7(9)10/h6-7H,1-5H2
InChIKeyKAIBNOKINDDTJK-UHFFFAOYSA-N
XLogP1.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 51.19
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)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine (CID 81210969) is 2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine is FC(F)CN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine?
The InChIKey is KAIBNOKINDDTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF2NO/c8-3-6-4-11(1-2-12-6)5-7(9)10/h6-7H,1-5H2.
What are the key properties of 2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine?
2-(chloromethyl)-4-(2,2-difluoroethyl)morpholine has a molecular weight of 199.63 g/mol, XLogP of 1.19, 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)morpholine is sourced from PubChem (CID 81210969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).