3-fluoro-5-propan-2-yl-3,4-dihydropyridine

C8H12FN — CID 166850650

IUPAC3-fluoro-5-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=CN=CC(F)C1
InChIInChI=1S/C8H12FN/c1-6(2)7-3-8(9)5-10-4-7/h4-6,8H,3H2,1-2H3
InChIKeyJWCPJVXSAIMTBA-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.34
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-3,4-dihydropyridine

3-fluoro-5-propan-2-yl-3,4-dihydropyridine (PubChem CID 166850650) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-3,4-dihydropyridine
PubChem CID166850650
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3-fluoro-5-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=CN=CC(F)C1
InChIInChI=1S/C8H12FN/c1-6(2)7-3-8(9)5-10-4-7/h4-6,8H,3H2,1-2H3
InChIKeyJWCPJVXSAIMTBA-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 3-fluoro-5-propan-2-yl-3,4-dihydropyridine (CID 166850650) is 3-fluoro-5-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 3-fluoro-5-propan-2-yl-3,4-dihydropyridine is CC(C)C1=CN=CC(F)C1.
What is the InChIKey of 3-fluoro-5-propan-2-yl-3,4-dihydropyridine?
The InChIKey is JWCPJVXSAIMTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)7-3-8(9)5-10-4-7/h4-6,8H,3H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-yl-3,4-dihydropyridine?
3-fluoro-5-propan-2-yl-3,4-dihydropyridine has a molecular weight of 141.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 166850650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).