(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C11H11BrF3NO — CID 103696653

IUPAC(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc(Br)cc2C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NO/c12-7-1-2-10(9(5-7)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2/t8-/m1/s1
InChIKeyIWUHCXHNIGUYPF-MRVPVSSYSA-N
MW310.11 g/mol
LogP3.04
Rot. Bonds1

About (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 103696653) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID103696653
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccc(Br)cc2C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NO/c12-7-1-2-10(9(5-7)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2/t8-/m1/s1
InChIKeyIWUHCXHNIGUYPF-MRVPVSSYSA-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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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 67022287
1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 53408258
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 107289828
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
(3S)-1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-3-ol
CID 150770228
1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
CID 65483428
4-bromo-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 112694716
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72699038
1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
CID 62917357

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 103696653) is (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is O[C@@H]1CCN(c2ccc(Br)cc2C(F)(F)F)C1.
What is the InChIKey of (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is IWUHCXHNIGUYPF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-7-1-2-10(9(5-7)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2/t8-/m1/s1.
What are the key properties of (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
(3R)-1-[4-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 (3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 103696653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).