1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine

C10H9F14NO — CID 159590185

IUPAC1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine
SMILESCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F14NO/c1-25(10(22,23)24)5(12)6(13,9(19,20)21)2-26-3-7(14,15)4(11)8(16,17)18/h4-5H,2-3H2,1H3
InChIKeyQZFSNESUZKSNPH-UHFFFAOYSA-N
MW425.16 g/mol
LogP4.56
Rot. Bonds7

About 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine

1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine (PubChem CID 159590185) has the molecular formula C10H9F14NO and a molecular weight of 425.16 g/mol. Its IUPAC name is 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine
PubChem CID159590185
Molecular FormulaC10H9F14NO
Molecular Weight425.16 g/mol
Exact Mass425.05
IUPAC Name1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine
SMILESCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F14NO/c1-25(10(22,23)24)5(12)6(13,9(19,20)21)2-26-3-7(14,15)4(11)8(16,17)18/h4-5H,2-3H2,1H3
InChIKeyQZFSNESUZKSNPH-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.16
LogP ≤ 54.56
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 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine (CID 159590185) is 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine is CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The InChIKey is QZFSNESUZKSNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F14NO/c1-25(10(22,23)24)5(12)6(13,9(19,20)21)2-26-3-7(14,15)4(11)8(16,17)18/h4-5H,2-3H2,1H3.
What are the key properties of 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine?
1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine has a molecular weight of 425.16 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 159590185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).