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

C6H10F5NO — CID 122598994

IUPACN-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
SMILESCCN(C)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-3-12(2)13-4-5(7,8)6(9,10)11/h3-4H2,1-2H3
InChIKeyFYXWUEDHGOWGBQ-UHFFFAOYSA-N
MW207.14 g/mol
LogP2.07
Rot. Bonds4

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

N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine (PubChem CID 122598994) has the molecular formula C6H10F5NO and a molecular weight of 207.14 g/mol. Its IUPAC name is N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
PubChem CID122598994
Molecular FormulaC6H10F5NO
Molecular Weight207.14 g/mol
Exact Mass207.07
IUPAC NameN-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
SMILESCCN(C)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-3-12(2)13-4-5(7,8)6(9,10)11/h3-4H2,1-2H3
InChIKeyFYXWUEDHGOWGBQ-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 52.07
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-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The IUPAC name of N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine (CID 122598994) is N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine.
What is the SMILES notation for N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The canonical SMILES for N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine is CCN(C)OCC(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The InChIKey is FYXWUEDHGOWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO/c1-3-12(2)13-4-5(7,8)6(9,10)11/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine has a molecular weight of 207.14 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine is sourced from PubChem (CID 122598994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).