2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine

C7H9F8NO — CID 134263886

IUPAC2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESNCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H9F8NO/c8-4(9)6(12,13)7(14,15)5(10,11)3-17-2-1-16/h4H,1-3,16H2
InChIKeyXCVGQANWBKQIKT-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.13
Rot. Bonds7

About 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine

2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (PubChem CID 134263886) has the molecular formula C7H9F8NO and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
PubChem CID134263886
Molecular FormulaC7H9F8NO
Molecular Weight275.14 g/mol
Exact Mass275.06
IUPAC Name2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESNCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H9F8NO/c8-4(9)6(12,13)7(14,15)5(10,11)3-17-2-1-16/h4H,1-3,16H2
InChIKeyXCVGQANWBKQIKT-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
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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Related Compounds

3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile
CID 131854633
1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
CID 10018385
bis(2,2,3,3,4,4,5,5-octafluoropentyl) butanedioate
CID 22373366
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 134871742
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
CID 14909231
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane
CID 142755459
1,3-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)propan-2-ol
CID 172565018
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
CID 99769617
3-amino-4-(2,2,3,3,4,4,5,5-octafluoropentoxy)butanoic acid
CID 170872803
2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3-tetramethylbutanoate
CID 166810499

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (CID 134263886) is 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is NCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The InChIKey is XCVGQANWBKQIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F8NO/c8-4(9)6(12,13)7(14,15)5(10,11)3-17-2-1-16/h4H,1-3,16H2.
What are the key properties of 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine has a molecular weight of 275.14 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is sourced from PubChem (CID 134263886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).