1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine

C13H24FN — CID 176558443

IUPAC1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine
SMILESCCN1C=CC(CCC(C)C)C(C)(F)C1
InChIInChI=1S/C13H24FN/c1-5-15-9-8-12(7-6-11(2)3)13(4,14)10-15/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyCPTPDVBOGHTHIX-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.62
Rot. Bonds4

About 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine

1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine (PubChem CID 176558443) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine.

Molecular Properties

Compound Name1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine
PubChem CID176558443
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine
SMILESCCN1C=CC(CCC(C)C)C(C)(F)C1
InChIInChI=1S/C13H24FN/c1-5-15-9-8-12(7-6-11(2)3)13(4,14)10-15/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyCPTPDVBOGHTHIX-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-Fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole
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5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
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1-(2-Ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine
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1-methyl-4-propyl-3,4-dihydro-2H-pyridine
CID 53867295
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1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine
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(7Z)-1-methyl-5-propan-2-yl-3,4,5,6-tetrahydro-2H-azocine
CID 66908724
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine?
The IUPAC name of 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine (CID 176558443) is 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine.
What is the SMILES notation for 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine?
The canonical SMILES for 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine is CCN1C=CC(CCC(C)C)C(C)(F)C1.
What is the InChIKey of 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine?
The InChIKey is CPTPDVBOGHTHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-5-15-9-8-12(7-6-11(2)3)13(4,14)10-15/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine?
1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine has a molecular weight of 213.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine is sourced from PubChem (CID 176558443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).