N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine

C6H11F4NO — CID 122598992

IUPACN-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCN(C)OCC(F)(F)C(F)F
InChIInChI=1S/C6H11F4NO/c1-3-11(2)12-4-6(9,10)5(7)8/h5H,3-4H2,1-2H3
InChIKeyRQGRYKFRLDTXRI-UHFFFAOYSA-N
MW189.15 g/mol
LogP1.77
Rot. Bonds5

About N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine

N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 122598992) has the molecular formula C6H11F4NO and a molecular weight of 189.15 g/mol. Its IUPAC name is N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID122598992
Molecular FormulaC6H11F4NO
Molecular Weight189.15 g/mol
Exact Mass189.08
IUPAC NameN-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCN(C)OCC(F)(F)C(F)F
InChIInChI=1S/C6H11F4NO/c1-3-11(2)12-4-6(9,10)5(7)8/h5H,3-4H2,1-2H3
InChIKeyRQGRYKFRLDTXRI-UHFFFAOYSA-N
XLogP1.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 122598992) is N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCN(C)OCC(F)(F)C(F)F.
What is the InChIKey of N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is RQGRYKFRLDTXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4NO/c1-3-11(2)12-4-6(9,10)5(7)8/h5H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 189.15 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 122598992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).