N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

C11H10ClF3N2 — CID 2329074

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFC(F)(F)c1ccc(Cl)c(NC2=NCCC2)c1
InChIInChI=1S/C11H10ClF3N2/c12-8-4-3-7(11(13,14)15)6-9(8)17-10-2-1-5-16-10/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyXTKFHUOECACTNA-UHFFFAOYSA-N
MW262.66 g/mol
LogP3.96
Rot. Bonds1

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2329074) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2329074
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFC(F)(F)c1ccc(Cl)c(NC2=NCCC2)c1
InChIInChI=1S/C11H10ClF3N2/c12-8-4-3-7(11(13,14)15)6-9(8)17-10-2-1-5-16-10/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyXTKFHUOECACTNA-UHFFFAOYSA-N
XLogP3.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 2329074) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is FC(F)(F)c1ccc(Cl)c(NC2=NCCC2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is XTKFHUOECACTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c12-8-4-3-7(11(13,14)15)6-9(8)17-10-2-1-5-16-10/h3-4,6H,1-2,5H2,(H,16,17).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 262.66 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2329074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).