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

C12H11ClF2N2O — CID 89242861

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
SMILESFC(F)CN(Cc1ccc(Cl)nc1)c1ccoc1
InChIInChI=1S/C12H11ClF2N2O/c13-11-2-1-9(5-16-11)6-17(7-12(14)15)10-3-4-18-8-10/h1-5,8,12H,6-7H2
InChIKeyISLITOUAWMFXON-UHFFFAOYSA-N
MW272.68 g/mol
LogP3.60
Rot. Bonds5

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

N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine (PubChem CID 89242861) has the molecular formula C12H11ClF2N2O and a molecular weight of 272.68 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
PubChem CID89242861
Molecular FormulaC12H11ClF2N2O
Molecular Weight272.68 g/mol
Exact Mass272.05
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
SMILESFC(F)CN(Cc1ccc(Cl)nc1)c1ccoc1
InChIInChI=1S/C12H11ClF2N2O/c13-11-2-1-9(5-16-11)6-17(7-12(14)15)10-3-4-18-8-10/h1-5,8,12H,6-7H2
InChIKeyISLITOUAWMFXON-UHFFFAOYSA-N
XLogP3.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 53.60
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 N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine (CID 89242861) is N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine is FC(F)CN(Cc1ccc(Cl)nc1)c1ccoc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine?
The InChIKey is ISLITOUAWMFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O/c13-11-2-1-9(5-16-11)6-17(7-12(14)15)10-3-4-18-8-10/h1-5,8,12H,6-7H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine has a molecular weight of 272.68 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine is sourced from PubChem (CID 89242861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).