N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine

C10H15F8NO — CID 134276371

IUPACN-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESCCN(C)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H15F8NO/c1-3-19(2)4-5-20-6-8(13,14)10(17,18)9(15,16)7(11)12/h7H,3-6H2,1-2H3
InChIKeyDSMSNVSEXYLWGW-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.13
Rot. Bonds9

About N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine

N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (PubChem CID 134276371) has the molecular formula C10H15F8NO and a molecular weight of 317.22 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
PubChem CID134276371
Molecular FormulaC10H15F8NO
Molecular Weight317.22 g/mol
Exact Mass317.10
IUPAC NameN-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESCCN(C)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H15F8NO/c1-3-19(2)4-5-20-6-8(13,14)10(17,18)9(15,16)7(11)12/h7H,3-6H2,1-2H3
InChIKeyDSMSNVSEXYLWGW-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (CID 134276371) is N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is CCN(C)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The InChIKey is DSMSNVSEXYLWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F8NO/c1-3-19(2)4-5-20-6-8(13,14)10(17,18)9(15,16)7(11)12/h7H,3-6H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine has a molecular weight of 317.22 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is sourced from PubChem (CID 134276371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).