N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine

C15H22F11NO — CID 145366180

IUPACN-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine
SMILESCCCCCN(CC)C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F11NO/c1-3-5-6-7-27(4-2)11(17)12(18,15(24,25)26)8-28-9-13(19,20)10(16)14(21,22)23/h10-11H,3-9H2,1-2H3
InChIKeyWQXIEGBOJRLNIE-UHFFFAOYSA-N
MW441.33 g/mol
LogP5.62
Rot. Bonds12

About N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine

N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine (PubChem CID 145366180) has the molecular formula C15H22F11NO and a molecular weight of 441.33 g/mol. Its IUPAC name is N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine
PubChem CID145366180
Molecular FormulaC15H22F11NO
Molecular Weight441.33 g/mol
Exact Mass441.15
IUPAC NameN-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine
SMILESCCCCCN(CC)C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F11NO/c1-3-5-6-7-27(4-2)11(17)12(18,15(24,25)26)8-28-9-13(19,20)10(16)14(21,22)23/h10-11H,3-9H2,1-2H3
InChIKeyWQXIEGBOJRLNIE-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.33
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
CID 18725560
N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine
CID 59383789
1-[1,1,2,2,3,3-Hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine
CID 90154484
1-[1,2,3,3,3-Pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]azepane
CID 130418341
1-[1,2,2-Trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine
CID 130418349
1-[1,2,2-Trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]azepane
CID 130418354
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine
CID 130418390
1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-bis(trifluoromethyl)butan-1-amine
CID 130418395
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine
CID 130418399
1-[1,2,3,3,3-Pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine
CID 130418431
1-[(1S)-1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]azepane
CID 130418450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine?
The IUPAC name of N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine (CID 145366180) is N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine?
The canonical SMILES for N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine is CCCCCN(CC)C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine?
The InChIKey is WQXIEGBOJRLNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F11NO/c1-3-5-6-7-27(4-2)11(17)12(18,15(24,25)26)8-28-9-13(19,20)10(16)14(21,22)23/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine?
N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine has a molecular weight of 441.33 g/mol, XLogP of 5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pentan-1-amine is sourced from PubChem (CID 145366180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).