3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole

C11H9ClF3N — CID 91527993

IUPAC3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)c1c(Cl)cccc1C1=CCNC1
InChIInChI=1S/C11H9ClF3N/c12-9-3-1-2-8(7-4-5-16-6-7)10(9)11(13,14)15/h1-4,16H,5-6H2
InChIKeyOZFVLUOJFVWXIC-UHFFFAOYSA-N
MW247.65 g/mol
LogP3.35
Rot. Bonds1

About 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole

3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole (PubChem CID 91527993) has the molecular formula C11H9ClF3N and a molecular weight of 247.65 g/mol. Its IUPAC name is 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole
PubChem CID91527993
Molecular FormulaC11H9ClF3N
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole
SMILESFC(F)(F)c1c(Cl)cccc1C1=CCNC1
InChIInChI=1S/C11H9ClF3N/c12-9-3-1-2-8(7-4-5-16-6-7)10(9)11(13,14)15/h1-4,16H,5-6H2
InChIKeyOZFVLUOJFVWXIC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole (CID 91527993) is 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole is FC(F)(F)c1c(Cl)cccc1C1=CCNC1.
What is the InChIKey of 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole?
The InChIKey is OZFVLUOJFVWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N/c12-9-3-1-2-8(7-4-5-16-6-7)10(9)11(13,14)15/h1-4,16H,5-6H2.
What are the key properties of 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole?
3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole has a molecular weight of 247.65 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 91527993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).