2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine

C7H9F3N2 — CID 71695547

IUPAC2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
SMILESCn1ccc(C(N)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2/c1-12-3-2-5(4-12)6(11)7(8,9)10/h2-4,6H,11H2,1H3
InChIKeyMSPULTAKLZFDHL-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.59
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine

2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine (PubChem CID 71695547) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
PubChem CID71695547
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
SMILESCn1ccc(C(N)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2/c1-12-3-2-5(4-12)6(11)7(8,9)10/h2-4,6H,11H2,1H3
InChIKeyMSPULTAKLZFDHL-UHFFFAOYSA-N
XLogP1.59
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1H-pyrrole
CID 258383
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
1H-Pyrrole, 3-propyl-
CID 137076
1-(1-methyl-1H-pyrrol-3-yl)ethan-1-amine
CID 22891637
2,2,2-Trifluoro-1-(3-pyridinyl)ethylamine hydrochloride
CID 45594310
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
1-(1H-pyrrol-3-yl)ethan-1-amine
CID 58629066
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752
1-Methyl-2-(1-propyl-1H-pyrrol-3-yl)-ethylamine
CID 14739640
2-(1H-pyrrol-3-yl)ethan-1-amine
CID 13437354
3-Tert-butyl-1-methylpyrrole
CID 578989

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine (CID 71695547) is 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine is Cn1ccc(C(N)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
The InChIKey is MSPULTAKLZFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-12-3-2-5(4-12)6(11)7(8,9)10/h2-4,6H,11H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine?
2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine has a molecular weight of 178.16 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 71695547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).