4-(trifluoromethoxy)pyrrolidin-3-ol

C5H8F3NO2 — CID 68561106

IUPAC4-(trifluoromethoxy)pyrrolidin-3-ol
SMILESOC1CNCC1OC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)11-4-2-9-1-3(4)10/h3-4,9-10H,1-2H2
InChIKeyHIZFMIUDJZCTKE-UHFFFAOYSA-N
MW171.12 g/mol
LogP-0.14
Rot. Bonds1

About 4-(trifluoromethoxy)pyrrolidin-3-ol

4-(trifluoromethoxy)pyrrolidin-3-ol (PubChem CID 68561106) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 4-(trifluoromethoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(trifluoromethoxy)pyrrolidin-3-ol
PubChem CID68561106
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name4-(trifluoromethoxy)pyrrolidin-3-ol
SMILESOC1CNCC1OC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)11-4-2-9-1-3(4)10/h3-4,9-10H,1-2H2
InChIKeyHIZFMIUDJZCTKE-UHFFFAOYSA-N
XLogP-0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)pyrrolidin-3-ol?
The IUPAC name of 4-(trifluoromethoxy)pyrrolidin-3-ol (CID 68561106) is 4-(trifluoromethoxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(trifluoromethoxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(trifluoromethoxy)pyrrolidin-3-ol is OC1CNCC1OC(F)(F)F.
What is the InChIKey of 4-(trifluoromethoxy)pyrrolidin-3-ol?
The InChIKey is HIZFMIUDJZCTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)11-4-2-9-1-3(4)10/h3-4,9-10H,1-2H2.
What are the key properties of 4-(trifluoromethoxy)pyrrolidin-3-ol?
4-(trifluoromethoxy)pyrrolidin-3-ol has a molecular weight of 171.12 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)pyrrolidin-3-ol is sourced from PubChem (CID 68561106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).