2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine

C13H19F10NO — CID 88548450

IUPAC2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H19F10NO/c1-4-6-24(7-5-2)8-10(16,17)12(20,21)25-13(22,23)11(18,19)9(3,14)15/h4-8H2,1-3H3
InChIKeyQAXGHUNDFDZOST-UHFFFAOYSA-N
MW395.28 g/mol
LogP5.24
Rot. Bonds11

About 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine

2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine (PubChem CID 88548450) has the molecular formula C13H19F10NO and a molecular weight of 395.28 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine
PubChem CID88548450
Molecular FormulaC13H19F10NO
Molecular Weight395.28 g/mol
Exact Mass395.13
IUPAC Name2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H19F10NO/c1-4-6-24(7-5-2)8-10(16,17)12(20,21)25-13(22,23)11(18,19)9(3,14)15/h4-8H2,1-3H3
InChIKeyQAXGHUNDFDZOST-UHFFFAOYSA-N
XLogP5.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.28
LogP ≤ 55.24
H-Bond Donors ≤ 50
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 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine (CID 88548450) is 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine is CCCN(CCC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine?
The InChIKey is QAXGHUNDFDZOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F10NO/c1-4-6-24(7-5-2)8-10(16,17)12(20,21)25-13(22,23)11(18,19)9(3,14)15/h4-8H2,1-3H3.
What are the key properties of 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine?
2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine has a molecular weight of 395.28 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3-hexafluorobutoxy)-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 88548450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).