4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine

C12H11Cl2FN2O — CID 87615190

IUPAC4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
SMILESFCCN(Cc1ccc(Cl)nc1)c1cocc1Cl
InChIInChI=1S/C12H11Cl2FN2O/c13-10-7-18-8-11(10)17(4-3-15)6-9-1-2-12(14)16-5-9/h1-2,5,7-8H,3-4,6H2
InChIKeyTULZFGMDLVTJJI-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine

4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine (PubChem CID 87615190) has the molecular formula C12H11Cl2FN2O and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
PubChem CID87615190
Molecular FormulaC12H11Cl2FN2O
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
SMILESFCCN(Cc1ccc(Cl)nc1)c1cocc1Cl
InChIInChI=1S/C12H11Cl2FN2O/c13-10-7-18-8-11(10)17(4-3-15)6-9-1-2-12(14)16-5-9/h1-2,5,7-8H,3-4,6H2
InChIKeyTULZFGMDLVTJJI-UHFFFAOYSA-N
XLogP3.96
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
The IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine (CID 87615190) is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine.
What is the SMILES notation for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
The canonical SMILES for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine is FCCN(Cc1ccc(Cl)nc1)c1cocc1Cl.
What is the InChIKey of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
The InChIKey is TULZFGMDLVTJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN2O/c13-10-7-18-8-11(10)17(4-3-15)6-9-1-2-12(14)16-5-9/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine?
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine has a molecular weight of 289.14 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine is sourced from PubChem (CID 87615190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).