3-(trifluoromethyl)pyrrolidin-3-ol

C5H8F3NO — CID 50990624

IUPAC3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-2-9-3-4/h9-10H,1-3H2
InChIKeyPLQLGPQFZLVKTF-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.27
Rot. Bonds

About 3-(trifluoromethyl)pyrrolidin-3-ol

3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 50990624) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID50990624
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-2-9-3-4/h9-10H,1-3H2
InChIKeyPLQLGPQFZLVKTF-UHFFFAOYSA-N
XLogP0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(trifluoromethyl)pyrrolidin-3-ol (CID 50990624) is 3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidin-3-ol is OC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is PLQLGPQFZLVKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-2-9-3-4/h9-10H,1-3H2.
What are the key properties of 3-(trifluoromethyl)pyrrolidin-3-ol?
3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 155.12 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 50990624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).