1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine

C9H13F3N2 — CID 66404862

IUPAC1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7(13)5-8-3-2-4-14(8)6-9(10,11)12/h2-4,7H,5-6,13H2,1H3
InChIKeyALISQJKMCIYEPR-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.94
Rot. Bonds3

About 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine

1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine (PubChem CID 66404862) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
PubChem CID66404862
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7(13)5-8-3-2-4-14(8)6-9(10,11)12/h2-4,7H,5-6,13H2,1H3
InChIKeyALISQJKMCIYEPR-UHFFFAOYSA-N
XLogP1.94
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
Betahistine Hydrochloride
CID 68643
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
2-Methylpyrrole
CID 12489
N,N-dimethylpyridine-2-ethylamine
CID 80554
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
4-Pyrrol-1-yl-phenylamine
CID 2795457
3-(1H-pyrrol-1-yl)aniline
CID 2760546
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
2-Ethylpyrrole
CID 137075
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine (CID 66404862) is 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine is CC(N)Cc1cccn1CC(F)(F)F.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine?
The InChIKey is ALISQJKMCIYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-7(13)5-8-3-2-4-14(8)6-9(10,11)12/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine?
1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine has a molecular weight of 206.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66404862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).