2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine

C8H11F6NO — CID 91802907

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine
SMILESFC(F)(F)C(OCC1CCCN1)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c9-7(10,11)6(8(12,13)14)16-4-5-2-1-3-15-5/h5-6,15H,1-4H2
InChIKeyBOKIAMMXYTYSLM-UHFFFAOYSA-N
MW251.17 g/mol
LogP2.25
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine (PubChem CID 91802907) has the molecular formula C8H11F6NO and a molecular weight of 251.17 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine
PubChem CID91802907
Molecular FormulaC8H11F6NO
Molecular Weight251.17 g/mol
Exact Mass251.07
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine
SMILESFC(F)(F)C(OCC1CCCN1)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c9-7(10,11)6(8(12,13)14)16-4-5-2-1-3-15-5/h5-6,15H,1-4H2
InChIKeyBOKIAMMXYTYSLM-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine (CID 91802907) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine is FC(F)(F)C(OCC1CCCN1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine?
The InChIKey is BOKIAMMXYTYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO/c9-7(10,11)6(8(12,13)14)16-4-5-2-1-3-15-5/h5-6,15H,1-4H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine has a molecular weight of 251.17 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 91802907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).