N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine

C8H11F3N2O — CID 79100097

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine
SMILESFC(F)(F)COCCNn1cccc1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7-14-6-3-12-13-4-1-2-5-13/h1-2,4-5,12H,3,6-7H2
InChIKeyLKIPZXKHYWKFFM-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine (PubChem CID 79100097) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine
PubChem CID79100097
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine
SMILESFC(F)(F)COCCNn1cccc1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7-14-6-3-12-13-4-1-2-5-13/h1-2,4-5,12H,3,6-7H2
InChIKeyLKIPZXKHYWKFFM-UHFFFAOYSA-N
XLogP1.61
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine (CID 79100097) is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine is FC(F)(F)COCCNn1cccc1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine?
The InChIKey is LKIPZXKHYWKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)7-14-6-3-12-13-4-1-2-5-13/h1-2,4-5,12H,3,6-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine has a molecular weight of 208.18 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine is sourced from PubChem (CID 79100097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).