1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine

C15H24F9NO — CID 145366155

IUPAC1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H24F9NO/c1-5-7-25(8-6-2)12(17)14(20,21)10(4)26-9(3)13(18,19)11(16)15(22,23)24/h9-12H,5-8H2,1-4H3
InChIKeyLPDNDMKQLBDXAD-UHFFFAOYSA-N
MW405.35 g/mol
LogP5.37
Rot. Bonds11

About 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine

1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine (PubChem CID 145366155) has the molecular formula C15H24F9NO and a molecular weight of 405.35 g/mol. Its IUPAC name is 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine
PubChem CID145366155
Molecular FormulaC15H24F9NO
Molecular Weight405.35 g/mol
Exact Mass405.17
IUPAC Name1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H24F9NO/c1-5-7-25(8-6-2)12(17)14(20,21)10(4)26-9(3)13(18,19)11(16)15(22,23)24/h9-12H,5-8H2,1-4H3
InChIKeyLPDNDMKQLBDXAD-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 55.37
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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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine?
The IUPAC name of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine (CID 145366155) is 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine?
The canonical SMILES for 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine is CCCN(CCC)C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine?
The InChIKey is LPDNDMKQLBDXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F9NO/c1-5-7-25(8-6-2)12(17)14(20,21)10(4)26-9(3)13(18,19)11(16)15(22,23)24/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine?
1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine has a molecular weight of 405.35 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 145366155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).