1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine

C10H15F3N2O — CID 79101823

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1CCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-8(14)9-3-2-4-15(9)5-6-16-7-10(11,12)13/h2-4,8H,5-7,14H2,1H3
InChIKeyAJTXHBMABSXBMF-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.09
Rot. Bonds5

About 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine (PubChem CID 79101823) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine
PubChem CID79101823
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1CCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-8(14)9-3-2-4-15(9)5-6-16-7-10(11,12)13/h2-4,8H,5-7,14H2,1H3
InChIKeyAJTXHBMABSXBMF-UHFFFAOYSA-N
XLogP2.09
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol
CID 79106001
N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79102469
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79102917
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401408
1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol
CID 79107368
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63810752
1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine
CID 79102217
ethyl 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole-2-carboxylate
CID 105422096
1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole-2-carbonitrile
CID 114653077
1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147975
1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine
CID 114528940
1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole-2-carbaldehyde
CID 66407686

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine (CID 79101823) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine is CC(N)c1cccn1CCOCC(F)(F)F.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine?
The InChIKey is AJTXHBMABSXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8(14)9-3-2-4-15(9)5-6-16-7-10(11,12)13/h2-4,8H,5-7,14H2,1H3.
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine has a molecular weight of 236.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79101823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).