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

C12H11F3N2O — CID 90831983

IUPACN-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine
SMILESFc1ccc(CN(CC(F)F)c2ccoc2)cn1
InChIInChI=1S/C12H11F3N2O/c13-11(14)7-17(10-3-4-18-8-10)6-9-1-2-12(15)16-5-9/h1-5,8,11H,6-7H2
InChIKeyATEJCVQLWYVYQD-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.09
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine (PubChem CID 90831983) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine
PubChem CID90831983
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine
SMILESFc1ccc(CN(CC(F)F)c2ccoc2)cn1
InChIInChI=1S/C12H11F3N2O/c13-11(14)7-17(10-3-4-18-8-10)6-9-1-2-12(15)16-5-9/h1-5,8,11H,6-7H2
InChIKeyATEJCVQLWYVYQD-UHFFFAOYSA-N
XLogP3.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine (CID 90831983) is N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine is Fc1ccc(CN(CC(F)F)c2ccoc2)cn1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine?
The InChIKey is ATEJCVQLWYVYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-11(14)7-17(10-3-4-18-8-10)6-9-1-2-12(15)16-5-9/h1-5,8,11H,6-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine?
N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine has a molecular weight of 256.23 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine is sourced from PubChem (CID 90831983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).