1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine

C8H4F15NO — CID 155217315

IUPAC1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine
SMILESFC(C(F)(F)F)C(F)(F)COC(F)(F)C(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F15NO/c9-2(5(13,14)15)4(11,12)1-25-6(16,17)3(10)24(7(18,19)20)8(21,22)23/h2-3H,1H2
InChIKeyQEPKUYIUMHPOND-UHFFFAOYSA-N
MW415.10 g/mol
LogP4.77
Rot. Bonds6

About 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine

1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine (PubChem CID 155217315) has the molecular formula C8H4F15NO and a molecular weight of 415.10 g/mol. Its IUPAC name is 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine.

Molecular Properties

Compound Name1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine
PubChem CID155217315
Molecular FormulaC8H4F15NO
Molecular Weight415.10 g/mol
Exact Mass415.01
IUPAC Name1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine
SMILESFC(C(F)(F)F)C(F)(F)COC(F)(F)C(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F15NO/c9-2(5(13,14)15)4(11,12)1-25-6(16,17)3(10)24(7(18,19)20)8(21,22)23/h2-3H,1H2
InChIKeyQEPKUYIUMHPOND-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1,1,2-trifluoro-2-heptafluoropropoxy-ethanamine
CID 100977954
2-(1,1,2,3,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,3,3,3-hexafluoropropoxy)ethyl]ethanamine
CID 19424808
2-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[2-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
CID 21492158
2-(2,2-difluoropropoxy)-N,N-dimethylethanamine
CID 87526986
2-(2,2-difluorobutoxy)-N,N-dimethylethanamine
CID 88582156
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
CID 91412214
N,N-dimethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
CID 118029374
N,N-diethyl-2-(1,1,2,2-tetrafluoropropoxy)ethanamine
CID 118029375
N,N-diethyl-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
CID 124159473
1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)propan-1-amine
CID 130418457
N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134276371
butane;2-(2,2-difluoropropoxy)-N,N-dimethylethanamine;ethane
CID 144307261

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine?
The IUPAC name of 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine (CID 155217315) is 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine.
What is the SMILES notation for 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine?
The canonical SMILES for 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine is FC(C(F)(F)F)C(F)(F)COC(F)(F)C(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine?
The InChIKey is QEPKUYIUMHPOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F15NO/c9-2(5(13,14)15)4(11,12)1-25-6(16,17)3(10)24(7(18,19)20)8(21,22)23/h2-3H,1H2.
What are the key properties of 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine?
1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine has a molecular weight of 415.10 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-2-(2,2,3,4,4,4-hexafluorobutoxy)-N,N-bis(trifluoromethyl)ethanamine is sourced from PubChem (CID 155217315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).