3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine

C9H13F6NO — CID 134373646

IUPAC3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(OCC1CCNC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-7(8(10,11)12,9(13,14)15)17-5-6-2-3-16-4-6/h6,16H,2-5H2,1H3
InChIKeyJJBNKIKZNRDLNK-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.50
Rot. Bonds3

About 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine

3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 134373646) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID134373646
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(OCC1CCNC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-7(8(10,11)12,9(13,14)15)17-5-6-2-3-16-4-6/h6,16H,2-5H2,1H3
InChIKeyJJBNKIKZNRDLNK-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 134373646) is 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(OCC1CCNC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is JJBNKIKZNRDLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c1-7(8(10,11)12,9(13,14)15)17-5-6-2-3-16-4-6/h6,16H,2-5H2,1H3.
What are the key properties of 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine?
3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 265.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 134373646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).