(2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole

C12H12F3N — CID 53386586

IUPAC(2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESC[C@@H]1CCC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C12H12F3N/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,2,7H2,1H3/t8-/m1/s1
InChIKeyICIIVDSSMJGEMA-MRVPVSSYSA-N
MW227.23 g/mol
LogP3.68
Rot. Bonds1

About (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole

(2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 53386586) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID53386586
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name(2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESC[C@@H]1CCC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C12H12F3N/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,2,7H2,1H3/t8-/m1/s1
InChIKeyICIIVDSSMJGEMA-MRVPVSSYSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
N-{1-[4-(Trifluoromethyl)phenyl]ethylidene}hydroxylamine
CID 5959048
5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900
N-Methyl-4-(trifluoromethyl)benzenemethaneimine
CID 11321394
N-tert-Butyl-4-(trifluoromethyl)benzenemethaneimine
CID 11608305
6-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 12009048
(4R)-2,4beta-Diphenyl-4-(trifluoromethyl)-1-pyrroline
CID 59051782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole (CID 53386586) is (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole is C[C@@H]1CCC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is ICIIVDSSMJGEMA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12F3N/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)12(13,14)15/h3-6,8H,2,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole?
(2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 227.23 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 53386586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).