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

C12H10Cl2F2N2O — CID 141191907

IUPAC4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
SMILESFC(F)CN(Cc1ccc(Cl)nc1)c1cocc1Cl
InChIInChI=1S/C12H10Cl2F2N2O/c13-9-6-19-7-10(9)18(5-12(15)16)4-8-1-2-11(14)17-3-8/h1-3,6-7,12H,4-5H2
InChIKeySCXRRJSJWYTFAS-UHFFFAOYSA-N
MW307.13 g/mol
LogP4.25
Rot. Bonds5

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

4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine (PubChem CID 141191907) has the molecular formula C12H10Cl2F2N2O and a molecular weight of 307.13 g/mol. Its IUPAC name is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
PubChem CID141191907
Molecular FormulaC12H10Cl2F2N2O
Molecular Weight307.13 g/mol
Exact Mass306.01
IUPAC Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
SMILESFC(F)CN(Cc1ccc(Cl)nc1)c1cocc1Cl
InChIInChI=1S/C12H10Cl2F2N2O/c13-9-6-19-7-10(9)18(5-12(15)16)4-8-1-2-11(14)17-3-8/h1-3,6-7,12H,4-5H2
InChIKeySCXRRJSJWYTFAS-UHFFFAOYSA-N
XLogP4.25
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 54.25
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-(2,2-difluoroethyl)furan-3-amine?
The IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine (CID 141191907) is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine.
What is the SMILES notation for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine?
The canonical SMILES for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine is FC(F)CN(Cc1ccc(Cl)nc1)c1cocc1Cl.
What is the InChIKey of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine?
The InChIKey is SCXRRJSJWYTFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F2N2O/c13-9-6-19-7-10(9)18(5-12(15)16)4-8-1-2-11(14)17-3-8/h1-3,6-7,12H,4-5H2.
What are the key properties of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine?
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine has a molecular weight of 307.13 g/mol, XLogP of 4.25, 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-(2,2-difluoroethyl)furan-3-amine is sourced from PubChem (CID 141191907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).