4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine

C9H16FN3 — CID 126635010

IUPAC4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine
SMILESCN(CCF)C1=CC(N)N(C)C=C1
InChIInChI=1S/C9H16FN3/c1-12(6-4-10)8-3-5-13(2)9(11)7-8/h3,5,7,9H,4,6,11H2,1-2H3
InChIKeyMDBVQLMIGNJAPW-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.52
Rot. Bonds3

About 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine

4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine (PubChem CID 126635010) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine
PubChem CID126635010
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine
SMILESCN(CCF)C1=CC(N)N(C)C=C1
InChIInChI=1S/C9H16FN3/c1-12(6-4-10)8-3-5-13(2)9(11)7-8/h3,5,7,9H,4,6,11H2,1-2H3
InChIKeyMDBVQLMIGNJAPW-UHFFFAOYSA-N
XLogP0.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine?
The IUPAC name of 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine (CID 126635010) is 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine is CN(CCF)C1=CC(N)N(C)C=C1.
What is the InChIKey of 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine?
The InChIKey is MDBVQLMIGNJAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-12(6-4-10)8-3-5-13(2)9(11)7-8/h3,5,7,9H,4,6,11H2,1-2H3.
What are the key properties of 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine?
4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine has a molecular weight of 185.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine is sourced from PubChem (CID 126635010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).