2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H12F7NO — CID 55092918

IUPAC2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C8H12F7NO/c1-5(2-16-3-8(13,14)15)17-4-7(11,12)6(9)10/h5-6,16H,2-4H2,1H3
InChIKeyIYAAERSJCZOTFV-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.44
Rot. Bonds7

About 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55092918) has the molecular formula C8H12F7NO and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55092918
Molecular FormulaC8H12F7NO
Molecular Weight271.18 g/mol
Exact Mass271.08
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C8H12F7NO/c1-5(2-16-3-8(13,14)15)17-4-7(11,12)6(9)10/h5-6,16H,2-4H2,1H3
InChIKeyIYAAERSJCZOTFV-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55092918) is 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is IYAAERSJCZOTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F7NO/c1-5(2-16-3-8(13,14)15)17-4-7(11,12)6(9)10/h5-6,16H,2-4H2,1H3.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 271.18 g/mol, XLogP of 2.44, 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-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55092918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).