3-(trifluoromethoxy)pyrrolidine

C5H8F3NO — CID 66702672

IUPAC3-(trifluoromethoxy)pyrrolidine
SMILESFC(F)(F)OC1CCNC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)10-4-1-2-9-3-4/h4,9H,1-3H2
InChIKeyLMXDVHWGZYGKNK-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.88
Rot. Bonds1

About 3-(trifluoromethoxy)pyrrolidine

3-(trifluoromethoxy)pyrrolidine (PubChem CID 66702672) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name3-(trifluoromethoxy)pyrrolidine
PubChem CID66702672
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-(trifluoromethoxy)pyrrolidine
SMILESFC(F)(F)OC1CCNC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)10-4-1-2-9-3-4/h4,9H,1-3H2
InChIKeyLMXDVHWGZYGKNK-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)pyrrolidine?
The IUPAC name of 3-(trifluoromethoxy)pyrrolidine (CID 66702672) is 3-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for 3-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for 3-(trifluoromethoxy)pyrrolidine is FC(F)(F)OC1CCNC1.
What is the InChIKey of 3-(trifluoromethoxy)pyrrolidine?
The InChIKey is LMXDVHWGZYGKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)10-4-1-2-9-3-4/h4,9H,1-3H2.
What are the key properties of 3-(trifluoromethoxy)pyrrolidine?
3-(trifluoromethoxy)pyrrolidine has a molecular weight of 155.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 66702672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).