(3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C11H11BrF3NO — CID 69161955

IUPAC(3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccc(C(F)(F)F)c(Br)c2)C1
InChIInChI=1S/C11H11BrF3NO/c12-10-5-7(16-4-3-8(17)6-16)1-2-9(10)11(13,14)15/h1-2,5,8,17H,3-4,6H2/t8-/m0/s1
InChIKeyKGLGJJAKEQUFNU-QMMMGPOBSA-N
MW310.11 g/mol
LogP3.04
Rot. Bonds1

About (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 69161955) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID69161955
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name(3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2ccc(C(F)(F)F)c(Br)c2)C1
InChIInChI=1S/C11H11BrF3NO/c12-10-5-7(16-4-3-8(17)6-16)1-2-9(10)11(13,14)15/h1-2,5,8,17H,3-4,6H2/t8-/m0/s1
InChIKeyKGLGJJAKEQUFNU-QMMMGPOBSA-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

Analyze (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 69161955) is (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is O[C@H]1CCN(c2ccc(C(F)(F)F)c(Br)c2)C1.
What is the InChIKey of (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is KGLGJJAKEQUFNU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-10-5-7(16-4-3-8(17)6-16)1-2-9(10)11(13,14)15/h1-2,5,8,17H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
(3S)-1-[3-bromo-4-(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 (3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 69161955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).