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

C11H11F3N2 — CID 2100862

IUPACN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFC(F)(F)c1ccccc1NC1=NCCC1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)8-4-1-2-5-9(8)16-10-6-3-7-15-10/h1-2,4-5H,3,6-7H2,(H,15,16)
InChIKeyOTEBHYPFOPLAGF-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.31
Rot. Bonds1

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

N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2100862) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2100862
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC NameN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESFC(F)(F)c1ccccc1NC1=NCCC1
InChIInChI=1S/C11H11F3N2/c12-11(13,14)8-4-1-2-5-9(8)16-10-6-3-7-15-10/h1-2,4-5H,3,6-7H2,(H,15,16)
InChIKeyOTEBHYPFOPLAGF-UHFFFAOYSA-N
XLogP3.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 2100862) is N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is FC(F)(F)c1ccccc1NC1=NCCC1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is OTEBHYPFOPLAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c12-11(13,14)8-4-1-2-5-9(8)16-10-6-3-7-15-10/h1-2,4-5H,3,6-7H2,(H,15,16).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 228.22 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2100862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).