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

C7H9F3N2 — CID 66407103

IUPAC[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h1-2,4H,3,5,11H2
InChIKeySSGSWCSVTRIMLP-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.51
Rot. Bonds2

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

[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine (PubChem CID 66407103) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
PubChem CID66407103
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h1-2,4H,3,5,11H2
InChIKeySSGSWCSVTRIMLP-UHFFFAOYSA-N
XLogP1.51
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanamine
CID 115515089
1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
CID 66406500
[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
CID 66409945
N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404940
[1-(2-fluoropropyl)pyrrol-3-yl]methanamine
CID 84650389
3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole
CID 174894195
[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66409497
3-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrrole
CID 141202332
2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide
CID 66408410
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
CID 106455260
[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine
CID 82891821
[1-[(4-propan-2-ylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66410364

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine (CID 66407103) is [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine is NCc1ccn(CC(F)(F)F)c1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
The InChIKey is SSGSWCSVTRIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h1-2,4H,3,5,11H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine has a molecular weight of 178.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 66407103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).