ethane;2-(trifluoromethyl)-3,4-dihydropyridine

C8H12F3N — CID 144625238

IUPACethane;2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC.FC(F)(F)C1=NC=CCC1
InChIInChI=1S/C6H6F3N.C2H6/c7-6(8,9)5-3-1-2-4-10-5;1-2/h2,4H,1,3H2;1-2H3
InChIKeyUNDFEXWAVXJGEV-UHFFFAOYSA-N
MW179.19 g/mol
LogP3.32
Rot. Bonds

About ethane;2-(trifluoromethyl)-3,4-dihydropyridine

ethane;2-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 144625238) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is ethane;2-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;2-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID144625238
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Nameethane;2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC.FC(F)(F)C1=NC=CCC1
InChIInChI=1S/C6H6F3N.C2H6/c7-6(8,9)5-3-1-2-4-10-5;1-2/h2,4H,1,3H2;1-2H3
InChIKeyUNDFEXWAVXJGEV-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of ethane;2-(trifluoromethyl)-3,4-dihydropyridine (CID 144625238) is ethane;2-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for ethane;2-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for ethane;2-(trifluoromethyl)-3,4-dihydropyridine is CC.FC(F)(F)C1=NC=CCC1.
What is the InChIKey of ethane;2-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is UNDFEXWAVXJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N.C2H6/c7-6(8,9)5-3-1-2-4-10-5;1-2/h2,4H,1,3H2;1-2H3.
What are the key properties of ethane;2-(trifluoromethyl)-3,4-dihydropyridine?
ethane;2-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 179.19 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 144625238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).