1,1,2,2,2-pentafluoro-N,N-dimethylethanamine

C4H6F5N — CID 23154530

IUPAC1,1,2,2,2-pentafluoro-N,N-dimethylethanamine
SMILESCN(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5N/c1-10(2)4(8,9)3(5,6)7/h1-2H3
InChIKeyJIOLPTLTFGMOFB-UHFFFAOYSA-N
MW163.09 g/mol
LogP1.70
Rot. Bonds1

About 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine

1,1,2,2,2-pentafluoro-N,N-dimethylethanamine (PubChem CID 23154530) has the molecular formula C4H6F5N and a molecular weight of 163.09 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N,N-dimethylethanamine
PubChem CID23154530
Molecular FormulaC4H6F5N
Molecular Weight163.09 g/mol
Exact Mass163.04
IUPAC Name1,1,2,2,2-pentafluoro-N,N-dimethylethanamine
SMILESCN(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5N/c1-10(2)4(8,9)3(5,6)7/h1-2H3
InChIKeyJIOLPTLTFGMOFB-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.09
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine?
The IUPAC name of 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine (CID 23154530) is 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine is CN(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine?
The InChIKey is JIOLPTLTFGMOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5N/c1-10(2)4(8,9)3(5,6)7/h1-2H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine?
1,1,2,2,2-pentafluoro-N,N-dimethylethanamine has a molecular weight of 163.09 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N,N-dimethylethanamine is sourced from PubChem (CID 23154530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).