4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine

C15H24F10N2O — CID 88548451

IUPAC4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine
SMILESCCCN(CCC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)CN(C)C
InChIInChI=1S/C15H24F10N2O/c1-5-7-27(8-6-2)10-12(18,19)14(22,23)28-15(24,25)13(20,21)11(16,17)9-26(3)4/h5-10H2,1-4H3
InChIKeyPZPMYWAWGKOHRI-UHFFFAOYSA-N
MW438.35 g/mol
LogP4.78
Rot. Bonds13

About 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine

4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine (PubChem CID 88548451) has the molecular formula C15H24F10N2O and a molecular weight of 438.35 g/mol. Its IUPAC name is 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine
PubChem CID88548451
Molecular FormulaC15H24F10N2O
Molecular Weight438.35 g/mol
Exact Mass438.17
IUPAC Name4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine
SMILESCCCN(CCC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)CN(C)C
InChIInChI=1S/C15H24F10N2O/c1-5-7-27(8-6-2)10-12(18,19)14(22,23)28-15(24,25)13(20,21)11(16,17)9-26(3)4/h5-10H2,1-4H3
InChIKeyPZPMYWAWGKOHRI-UHFFFAOYSA-N
XLogP4.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine (CID 88548451) is 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine is CCCN(CCC)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)CN(C)C.
What is the InChIKey of 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine?
The InChIKey is PZPMYWAWGKOHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F10N2O/c1-5-7-27(8-6-2)10-12(18,19)14(22,23)28-15(24,25)13(20,21)11(16,17)9-26(3)4/h5-10H2,1-4H3.
What are the key properties of 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine?
4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine has a molecular weight of 438.35 g/mol, XLogP of 4.78, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dipropylamino)-1,1,2,2-tetrafluoropropoxy]-2,2,3,3,4,4-hexafluoro-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 88548451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).