4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine

C8H13FN2 — CID 123852032

IUPAC4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine
SMILESCC(C)NC1CC(F)=CC=N1
InChIInChI=1S/C8H13FN2/c1-6(2)11-8-5-7(9)3-4-10-8/h3-4,6,8,11H,5H2,1-2H3
InChIKeyYSSGIUFPNFGLNX-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.64
Rot. Bonds2

About 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine

4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine (PubChem CID 123852032) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine
PubChem CID123852032
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine
SMILESCC(C)NC1CC(F)=CC=N1
InChIInChI=1S/C8H13FN2/c1-6(2)11-8-5-7(9)3-4-10-8/h3-4,6,8,11H,5H2,1-2H3
InChIKeyYSSGIUFPNFGLNX-UHFFFAOYSA-N
XLogP1.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine?
The IUPAC name of 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine (CID 123852032) is 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine?
The canonical SMILES for 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine is CC(C)NC1CC(F)=CC=N1.
What is the InChIKey of 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine?
The InChIKey is YSSGIUFPNFGLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-6(2)11-8-5-7(9)3-4-10-8/h3-4,6,8,11H,5H2,1-2H3.
What are the key properties of 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine?
4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine has a molecular weight of 156.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propan-2-yl-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 123852032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).