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

C11H9ClF3N — CID 57385179

IUPAC(3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)[C@@H]1CN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H9ClF3N/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
InChIKeyBORMYUSDACCORN-QMMMGPOBSA-N
MW247.65 g/mol
LogP3.71
Rot. Bonds1

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

(3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 57385179) has the molecular formula C11H9ClF3N and a molecular weight of 247.65 g/mol. Its IUPAC name is (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
PubChem CID57385179
Molecular FormulaC11H9ClF3N
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name(3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)[C@@H]1CN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H9ClF3N/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
InChIKeyBORMYUSDACCORN-QMMMGPOBSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 71607980
(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
CID 6933181
4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole
CID 12732791
5-(4-chlorophenyl)-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 152545587
3-chloro-2,4-difluoro-N-methyl-N-[3-(trifluoromethyl)cyclobutyl]aniline
CID 171482129
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951056
6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine
CID 5231060
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 14998678
3-tert-butyl-1-[[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methylurea
CID 93143644
3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 13143700
6-chloro-3-(trifluoromethyl)-2,3-dihydropyridine
CID 162546699

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole (CID 57385179) is (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is FC(F)(F)[C@@H]1CN=C(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is BORMYUSDACCORN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H9ClF3N/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-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole?
(3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 247.65 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-chlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 57385179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).