N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine

C15H17F4NO — CID 79645567

IUPACN-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(c1c(CC)oc2ccccc12)C(F)(F)C(F)F
InChIInChI=1S/C15H17F4NO/c1-3-10-12(9-7-5-6-8-11(9)21-10)13(20-4-2)15(18,19)14(16)17/h5-8,13-14,20H,3-4H2,1-2H3
InChIKeyQMBPIBLHFROUTP-UHFFFAOYSA-N
MW303.30 g/mol
LogP4.55
Rot. Bonds6

About N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine

N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 79645567) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID79645567
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC NameN-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCNC(c1c(CC)oc2ccccc12)C(F)(F)C(F)F
InChIInChI=1S/C15H17F4NO/c1-3-10-12(9-7-5-6-8-11(9)21-10)13(20-4-2)15(18,19)14(16)17/h5-8,13-14,20H,3-4H2,1-2H3
InChIKeyQMBPIBLHFROUTP-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-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-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine (CID 79645567) is N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine is CCNC(c1c(CC)oc2ccccc12)C(F)(F)C(F)F.
What is the InChIKey of N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is QMBPIBLHFROUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c1-3-10-12(9-7-5-6-8-11(9)21-10)13(20-4-2)15(18,19)14(16)17/h5-8,13-14,20H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine?
N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 303.30 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 79645567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).