1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine

C11H14F9NO — CID 130418455

IUPAC1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)[C@@H](F)N1CCCC1
InChIInChI=1S/C11H14F9NO/c12-7(11(18,19)20)9(14,15)5-22-6-10(16,17)8(13)21-3-1-2-4-21/h7-8H,1-6H2/t7?,8-/m0/s1
InChIKeyOFNKKPKHHKAMJD-MQWKRIRWSA-N
MW347.22 g/mol
LogP3.57
Rot. Bonds7

About 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine

1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine (PubChem CID 130418455) has the molecular formula C11H14F9NO and a molecular weight of 347.22 g/mol. Its IUPAC name is 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
PubChem CID130418455
Molecular FormulaC11H14F9NO
Molecular Weight347.22 g/mol
Exact Mass347.09
IUPAC Name1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)[C@@H](F)N1CCCC1
InChIInChI=1S/C11H14F9NO/c12-7(11(18,19)20)9(14,15)5-22-6-10(16,17)8(13)21-3-1-2-4-21/h7-8H,1-6H2/t7?,8-/m0/s1
InChIKeyOFNKKPKHHKAMJD-MQWKRIRWSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.57
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-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine?
The IUPAC name of 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine (CID 130418455) is 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine is FC(C(F)(F)F)C(F)(F)COCC(F)(F)[C@@H](F)N1CCCC1.
What is the InChIKey of 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine?
The InChIKey is OFNKKPKHHKAMJD-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H14F9NO/c12-7(11(18,19)20)9(14,15)5-22-6-10(16,17)8(13)21-3-1-2-4-21/h7-8H,1-6H2/t7?,8-/m0/s1.
What are the key properties of 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine?
1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine has a molecular weight of 347.22 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine is sourced from PubChem (CID 130418455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).