2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine

C14H14F3NS — CID 137396626

IUPAC2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCCSc1ccccc1C1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H14F3NS/c1-2-19-13-6-4-3-5-11(13)12-8-7-10(9-18-12)14(15,16)17/h3-6,9H,2,7-8H2,1H3
InChIKeyYOINUCDQDRFCAR-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.83
Rot. Bonds3

About 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine

2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 137396626) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID137396626
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCCSc1ccccc1C1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H14F3NS/c1-2-19-13-6-4-3-5-11(13)12-8-7-10(9-18-12)14(15,16)17/h3-6,9H,2,7-8H2,1H3
InChIKeyYOINUCDQDRFCAR-UHFFFAOYSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine (CID 137396626) is 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine is CCSc1ccccc1C1=NC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is YOINUCDQDRFCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-2-19-13-6-4-3-5-11(13)12-8-7-10(9-18-12)14(15,16)17/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine?
2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 285.33 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 137396626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).