1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine

C14H18F9NO — CID 130427281

IUPAC1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine
SMILESFC(N1CCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C14H18F9NO/c15-10(14(21,22)23)12(17,18)8-4-3-5-9(25-8)13(19,20)11(16)24-6-1-2-7-24/h8-11H,1-7H2
InChIKeyYIVVUGRVHBELAF-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.49
Rot. Bonds5

About 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine

1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine (PubChem CID 130427281) has the molecular formula C14H18F9NO and a molecular weight of 387.29 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine
PubChem CID130427281
Molecular FormulaC14H18F9NO
Molecular Weight387.29 g/mol
Exact Mass387.12
IUPAC Name1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine
SMILESFC(N1CCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C14H18F9NO/c15-10(14(21,22)23)12(17,18)8-4-3-5-9(25-8)13(19,20)11(16)24-6-1-2-7-24/h8-11H,1-7H2
InChIKeyYIVVUGRVHBELAF-UHFFFAOYSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.49
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-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine?
The IUPAC name of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine (CID 130427281) is 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine?
The canonical SMILES for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine is FC(N1CCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine?
The InChIKey is YIVVUGRVHBELAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F9NO/c15-10(14(21,22)23)12(17,18)8-4-3-5-9(25-8)13(19,20)11(16)24-6-1-2-7-24/h8-11H,1-7H2.
What are the key properties of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine?
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine has a molecular weight of 387.29 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine is sourced from PubChem (CID 130427281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).