2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine

C11H11Cl3N2O — CID 10968377

IUPAC2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine
SMILESNC(c1cccn1Cc1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H11Cl3N2O/c12-11(13,14)10(15)9-4-1-5-16(9)7-8-3-2-6-17-8/h1-6,10H,7,15H2
InChIKeyPTQHPIOOOSFOGZ-UHFFFAOYSA-N
MW293.58 g/mol
LogP3.50
Rot. Bonds3

About 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine

2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine (PubChem CID 10968377) has the molecular formula C11H11Cl3N2O and a molecular weight of 293.58 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine
PubChem CID10968377
Molecular FormulaC11H11Cl3N2O
Molecular Weight293.58 g/mol
Exact Mass291.99
IUPAC Name2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine
SMILESNC(c1cccn1Cc1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H11Cl3N2O/c12-11(13,14)10(15)9-4-1-5-16(9)7-8-3-2-6-17-8/h1-6,10H,7,15H2
InChIKeyPTQHPIOOOSFOGZ-UHFFFAOYSA-N
XLogP3.50
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine (CID 10968377) is 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine is NC(c1cccn1Cc1ccco1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine?
The InChIKey is PTQHPIOOOSFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2O/c12-11(13,14)10(15)9-4-1-5-16(9)7-8-3-2-6-17-8/h1-6,10H,7,15H2.
What are the key properties of 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine?
2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine has a molecular weight of 293.58 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 10968377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).