2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine

C10H16FN — CID 141419498

IUPAC2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
SMILESCC1CC=CN=C1CC(C)(C)F
InChIInChI=1S/C10H16FN/c1-8-5-4-6-12-9(8)7-10(2,3)11/h4,6,8H,5,7H2,1-3H3
InChIKeyJGGKYEONEFBNAB-UHFFFAOYSA-N
MW169.24 g/mol
LogP3.12
Rot. Bonds2

About 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine

2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine (PubChem CID 141419498) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
PubChem CID141419498
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
SMILESCC1CC=CN=C1CC(C)(C)F
InChIInChI=1S/C10H16FN/c1-8-5-4-6-12-9(8)7-10(2,3)11/h4,6,8H,5,7H2,1-3H3
InChIKeyJGGKYEONEFBNAB-UHFFFAOYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole
CID 59159512
2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine
CID 89186118
4-tert-butyl-4-methyl-2-(3,3,3-trifluoropropyl)-3H-pyridine
CID 129191466
4-Tert-butyl-2-(3,3,3-trifluoropropyl)-3,4-dihydropyridine
CID 134216099
1-fluoro-N-[(1Z)-3-[4-(2-methylhexa-1,5-dien-3-yl)cyclohexyl]buta-1,3-dienyl]hex-5-en-3-imine
CID 134298790
(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
CID 137399813
2-Butan-2-yl-6-fluoro-3-methyl-3,4-dihydropyridine
CID 138581069
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
2-ethyl-3-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 163622753
(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
CID 166673263

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine?
The IUPAC name of 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine (CID 141419498) is 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine is CC1CC=CN=C1CC(C)(C)F.
What is the InChIKey of 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine?
The InChIKey is JGGKYEONEFBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-8-5-4-6-12-9(8)7-10(2,3)11/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine?
2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine has a molecular weight of 169.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 141419498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).