1-(trifluoromethyl)pyrrolidin-3-ol

C5H8F3NO — CID 67181842

IUPAC1-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1CCN(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)9-2-1-4(10)3-9/h4,10H,1-3H2
InChIKeyYDOQGMPOOKBYCL-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.57
Rot. Bonds

About 1-(trifluoromethyl)pyrrolidin-3-ol

1-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 67181842) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID67181842
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name1-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1CCN(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)9-2-1-4(10)3-9/h4,10H,1-3H2
InChIKeyYDOQGMPOOKBYCL-UHFFFAOYSA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(trifluoromethyl)pyrrolidin-3-ol (CID 67181842) is 1-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(trifluoromethyl)pyrrolidin-3-ol is OC1CCN(C(F)(F)F)C1.
What is the InChIKey of 1-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is YDOQGMPOOKBYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)9-2-1-4(10)3-9/h4,10H,1-3H2.
What are the key properties of 1-(trifluoromethyl)pyrrolidin-3-ol?
1-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 155.12 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 67181842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).