1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C11H11BrF3NO — CID 107289802

IUPAC1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(Br)ccc2C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NO/c12-7-1-2-9(11(13,14)15)10(5-7)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2
InChIKeyZNYUIMSZIXLSOI-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.04
Rot. Bonds1

About 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 107289802) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID107289802
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(Br)ccc2C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NO/c12-7-1-2-9(11(13,14)15)10(5-7)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2
InChIKeyZNYUIMSZIXLSOI-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 107289802) is 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OC1CCN(c2cc(Br)ccc2C(F)(F)F)C1.
What is the InChIKey of 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is ZNYUIMSZIXLSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-7-1-2-9(11(13,14)15)10(5-7)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2.
What are the key properties of 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 310.11 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 107289802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).