[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine

Name: [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₄F₂N₂ — CID 116790149

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine

SMILESNCc1cccn1CC(F)(F)c1ccccc1

InChIInChI=1S/C13H14F2N2/c14-13(15,11-5-2-1-3-6-11)10-17-8-4-7-12(17)9-16/h1-8H,9-10,16H2

InChIKeyOPYIKTCPBMSPHR-UHFFFAOYSA-N

MW236.27 g/mol

LogP2.74

Rot. Bonds4

About [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine

[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine (PubChem CID 116790149) has the molecular formula C₁₃H₁₄F₂N₂ and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name	[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine
PubChem CID	116790149
Molecular Formula	C₁₃H₁₄F₂N₂
Molecular Weight	236.27 g/mol
Exact Mass	236.11
IUPAC Name	[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine
SMILES	NCc1cccn1CC(F)(F)c1ccccc1
InChI	InChI=1S/C13H14F2N2/c14-13(15,11-5-2-1-3-6-11)10-17-8-4-7-12(17)9-16/h1-8H,9-10,16H2
InChIKey	OPYIKTCPBMSPHR-UHFFFAOYSA-N
XLogP	2.74
TPSA	30.95 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.27
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine?

The IUPAC name of [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine (CID 116790149) is [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine.

What is the SMILES notation for [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine?

The canonical SMILES for [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine is NCc1cccn1CC(F)(F)c1ccccc1.

What is the InChIKey of [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine?

The InChIKey is OPYIKTCPBMSPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c14-13(15,11-5-2-1-3-6-11)10-17-8-4-7-12(17)9-16/h1-8H,9-10,16H2.

What are the key properties of [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine?

[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine has a molecular weight of 236.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 116790149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 116790149 — identifiers, structure, computed properties (public domain)

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