(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide

C11H13BrF3N — CID 170718511

IUPAC(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide
SMILESBr.FC(F)(F)[C@H]1CN[C@@H](c2ccccc2)C1
InChIInChI=1S/C11H12F3N.BrH/c12-11(13,14)9-6-10(15-7-9)8-4-2-1-3-5-8;/h1-5,9-10,15H,6-7H2;1H/t9-,10-;/m1./s1
InChIKeyHMPKIHKOHBZJAR-DHTOPLTISA-N
MW296.13 g/mol
LogP3.48
Rot. Bonds1

About (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide

(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide (PubChem CID 170718511) has the molecular formula C11H13BrF3N and a molecular weight of 296.13 g/mol. Its IUPAC name is (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide.

Molecular Properties

Compound Name(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide
PubChem CID170718511
Molecular FormulaC11H13BrF3N
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC Name(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide
SMILESBr.FC(F)(F)[C@H]1CN[C@@H](c2ccccc2)C1
InChIInChI=1S/C11H12F3N.BrH/c12-11(13,14)9-6-10(15-7-9)8-4-2-1-3-5-8;/h1-5,9-10,15H,6-7H2;1H/t9-,10-;/m1./s1
InChIKeyHMPKIHKOHBZJAR-DHTOPLTISA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide?
The IUPAC name of (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide (CID 170718511) is (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide.
What is the SMILES notation for (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide?
The canonical SMILES for (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide is Br.FC(F)(F)[C@H]1CN[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide?
The InChIKey is HMPKIHKOHBZJAR-DHTOPLTISA-N. The full InChI is InChI=1S/C11H12F3N.BrH/c12-11(13,14)9-6-10(15-7-9)8-4-2-1-3-5-8;/h1-5,9-10,15H,6-7H2;1H/t9-,10-;/m1./s1.
What are the key properties of (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide?
(2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide has a molecular weight of 296.13 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-phenyl-4-(trifluoromethyl)pyrrolidine;hydrobromide is sourced from PubChem (CID 170718511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).