(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

C11H9BrF3N — CID 139182438

IUPAC(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)[C@@H]1CN=C(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H9BrF3N/c12-9-3-1-7(2-4-9)10-5-8(6-16-10)11(13,14)15/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyOHAARRWKASEWFM-QMMMGPOBSA-N
MW292.10 g/mol
LogP3.82
Rot. Bonds1

About (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole

(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 139182438) has the molecular formula C11H9BrF3N and a molecular weight of 292.10 g/mol. Its IUPAC name is (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
PubChem CID139182438
Molecular FormulaC11H9BrF3N
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)[C@@H]1CN=C(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H9BrF3N/c12-9-3-1-7(2-4-9)10-5-8(6-16-10)11(13,14)15/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyOHAARRWKASEWFM-QMMMGPOBSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 25214294
4,4-Dibromo-5-phenyl-2,3-dihydropyrrole
CID 85724414
3-(4-bromophenyl)-2H-azirine
CID 11241008
5-(4-Bromophenyl)-3,4-dihydro-2h-pyrrole
CID 11424611
5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole
CID 135067592
5-(4-bromophenyl)-7-(trifluoromethyl)-3,6-dihydro-2H-1,4-diazepine
CID 132470818
(2R)-2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 9858967
2H-Pyrrole, 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-
CID 10268649
2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
CID 12056592
1-(4-Bromophenyl)-2,2,2-trifluoroethanimine
CID 12164754

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (CID 139182438) is (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is FC(F)(F)[C@@H]1CN=C(c2ccc(Br)cc2)C1.
What is the InChIKey of (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is OHAARRWKASEWFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H9BrF3N/c12-9-3-1-7(2-4-9)10-5-8(6-16-10)11(13,14)15/h1-4,8H,5-6H2/t8-/m0/s1.
What are the key properties of (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 292.10 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 139182438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).