1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine

C12H14F11NO — CID 130418358

IUPAC1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H14F11NO/c13-7(11(18,19)20)9(14,15)5-25-6-10(16,17)8(12(21,22)23)24-3-1-2-4-24/h7-8H,1-6H2
InChIKeyLHAUZBZCFODAPI-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.20
Rot. Bonds7

About 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine

1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine (PubChem CID 130418358) has the molecular formula C12H14F11NO and a molecular weight of 397.23 g/mol. Its IUPAC name is 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine
PubChem CID130418358
Molecular FormulaC12H14F11NO
Molecular Weight397.23 g/mol
Exact Mass397.09
IUPAC Name1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H14F11NO/c13-7(11(18,19)20)9(14,15)5-25-6-10(16,17)8(12(21,22)23)24-3-1-2-4-24/h7-8H,1-6H2
InChIKeyLHAUZBZCFODAPI-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine?
The IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine (CID 130418358) is 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine.
What is the SMILES notation for 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine?
The canonical SMILES for 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine is FC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine?
The InChIKey is LHAUZBZCFODAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F11NO/c13-7(11(18,19)20)9(14,15)5-25-6-10(16,17)8(12(21,22)23)24-3-1-2-4-24/h7-8H,1-6H2.
What are the key properties of 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine?
1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine has a molecular weight of 397.23 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine is sourced from PubChem (CID 130418358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).