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

C9H14FN — CID 154991486

IUPAC3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC=CC(C)C1F
InChIInChI=1S/C9H14FN/c1-6(2)9-8(10)7(3)4-5-11-9/h4-8H,1-3H3
InChIKeyGBFIMRPPHDNMTL-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.58
Rot. Bonds1

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

3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine (PubChem CID 154991486) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
PubChem CID154991486
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1=NC=CC(C)C1F
InChIInChI=1S/C9H14FN/c1-6(2)9-8(10)7(3)4-5-11-9/h4-8H,1-3H3
InChIKeyGBFIMRPPHDNMTL-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine (CID 154991486) is 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine is CC(C)C1=NC=CC(C)C1F.
What is the InChIKey of 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is GBFIMRPPHDNMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-6(2)9-8(10)7(3)4-5-11-9/h4-8H,1-3H3.
What are the key properties of 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine?
3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 155.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 154991486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).