1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine

C10H11F10NO — CID 156806396

IUPAC1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine
SMILESCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H11F10NO/c1-22-6(8(13,14)15,9(16,17)18)7(11,12)10(19,20)21-4-2-3-5-21/h2-5H2,1H3
InChIKeyUCXFTVMHHLGNRW-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.82
Rot. Bonds4

About 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine

1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine (PubChem CID 156806396) has the molecular formula C10H11F10NO and a molecular weight of 351.18 g/mol. Its IUPAC name is 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine
PubChem CID156806396
Molecular FormulaC10H11F10NO
Molecular Weight351.18 g/mol
Exact Mass351.07
IUPAC Name1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine
SMILESCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C10H11F10NO/c1-22-6(8(13,14)15,9(16,17)18)7(11,12)10(19,20)21-4-2-3-5-21/h2-5H2,1H3
InChIKeyUCXFTVMHHLGNRW-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine?
The IUPAC name of 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine (CID 156806396) is 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine.
What is the SMILES notation for 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine?
The canonical SMILES for 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine is COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine?
The InChIKey is UCXFTVMHHLGNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F10NO/c1-22-6(8(13,14)15,9(16,17)18)7(11,12)10(19,20)21-4-2-3-5-21/h2-5H2,1H3.
What are the key properties of 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine?
1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine has a molecular weight of 351.18 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2,2,4,4,4-heptafluoro-3-methoxy-3-(trifluoromethyl)butyl]pyrrolidine is sourced from PubChem (CID 156806396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).