1-[2-(difluoromethyl)-4-pyridinyl]ethanamine

C8H10F2N2 — CID 84654362

IUPAC1-[2-(difluoromethyl)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(C(F)F)c1
InChIInChI=1S/C8H10F2N2/c1-5(11)6-2-3-12-7(4-6)8(9)10/h2-5,8H,11H2,1H3
InChIKeyOLECETXQBZRWTH-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.04
Rot. Bonds2

About 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine

1-[2-(difluoromethyl)-4-pyridinyl]ethanamine (PubChem CID 84654362) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-pyridinyl]ethanamine
PubChem CID84654362
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-[2-(difluoromethyl)-4-pyridinyl]ethanamine
SMILESCC(N)c1ccnc(C(F)F)c1
InChIInChI=1S/C8H10F2N2/c1-5(11)6-2-3-12-7(4-6)8(9)10/h2-5,8H,11H2,1H3
InChIKeyOLECETXQBZRWTH-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine 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 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine (CID 84654362) is 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine is CC(N)c1ccnc(C(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine?
The InChIKey is OLECETXQBZRWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-5(11)6-2-3-12-7(4-6)8(9)10/h2-5,8H,11H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine?
1-[2-(difluoromethyl)-4-pyridinyl]ethanamine has a molecular weight of 172.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-pyridinyl]ethanamine is sourced from PubChem (CID 84654362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).