2-(2,2-difluoropropoxy)-N,N-dimethylethanamine

C7H15F2NO — CID 87526986

IUPAC2-(2,2-difluoropropoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCC(C)(F)F
InChIInChI=1S/C7H15F2NO/c1-7(8,9)6-11-5-4-10(2)3/h4-6H2,1-3H3
InChIKeyPMZNKCJVZMIAAH-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.22
Rot. Bonds5

About 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine

2-(2,2-difluoropropoxy)-N,N-dimethylethanamine (PubChem CID 87526986) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-N,N-dimethylethanamine
PubChem CID87526986
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-(2,2-difluoropropoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCC(C)(F)F
InChIInChI=1S/C7H15F2NO/c1-7(8,9)6-11-5-4-10(2)3/h4-6H2,1-3H3
InChIKeyPMZNKCJVZMIAAH-UHFFFAOYSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine (CID 87526986) is 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine is CN(C)CCOCC(C)(F)F.
What is the InChIKey of 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine?
The InChIKey is PMZNKCJVZMIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-7(8,9)6-11-5-4-10(2)3/h4-6H2,1-3H3.
What are the key properties of 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine?
2-(2,2-difluoropropoxy)-N,N-dimethylethanamine has a molecular weight of 167.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 87526986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).