1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine

C9H13F3N2 — CID 66406500

IUPAC1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N2/c1-7(13)4-8-2-3-14(5-8)6-9(10,11)12/h2-3,5,7H,4,6,13H2,1H3
InChIKeyISNOLQRJHLFVDZ-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.94
Rot. Bonds3

About 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine

1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine (PubChem CID 66406500) 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-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
PubChem CID66406500
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N2/c1-7(13)4-8-2-3-14(5-8)6-9(10,11)12/h2-3,5,7H,4,6,13H2,1H3
InChIKeyISNOLQRJHLFVDZ-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

1-[1-(2-methylpropyl)pyrrol-3-yl]propan-2-amine
CID 66406296
[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
CID 66407103
1-(1-propylpyrrol-3-yl)propan-2-amine
CID 14739640
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine
CID 66406292
4-[[3-(2-aminopropyl)pyrrol-1-yl]methyl]benzonitrile
CID 66404684
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404940
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357
6-[3-(2-aminopropyl)pyrrol-1-yl]-2,2-dimethylhexanenitrile
CID 106714533
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 79261244
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine (CID 66406500) is 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(CC(F)(F)F)c1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine?
The InChIKey is ISNOLQRJHLFVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-7(13)4-8-2-3-14(5-8)6-9(10,11)12/h2-3,5,7H,4,6,13H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine?
1-[1-(2,2,2-trifluoroethyl)pyrrol-3-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-3-yl]propan-2-amine is sourced from PubChem (CID 66406500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).