ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine

C12H18F3N — CID 143824332

IUPACethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine
SMILESCC.FC(F)(F)C1(C2=CC=CCN2)CCC1
InChIInChI=1S/C10H12F3N.C2H6/c11-10(12,13)9(5-3-6-9)8-4-1-2-7-14-8;1-2/h1-2,4,14H,3,5-7H2;1-2H3
InChIKeyDXSLTEAMFUUENR-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.79
Rot. Bonds1

About ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine

ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine (PubChem CID 143824332) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine.

Molecular Properties

Compound Nameethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine
PubChem CID143824332
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nameethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine
SMILESCC.FC(F)(F)C1(C2=CC=CCN2)CCC1
InChIInChI=1S/C10H12F3N.C2H6/c11-10(12,13)9(5-3-6-9)8-4-1-2-7-14-8;1-2/h1-2,4,14H,3,5-7H2;1-2H3
InChIKeyDXSLTEAMFUUENR-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine?
The IUPAC name of ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine (CID 143824332) is ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine.
What is the SMILES notation for ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine?
The canonical SMILES for ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine is CC.FC(F)(F)C1(C2=CC=CCN2)CCC1.
What is the InChIKey of ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine?
The InChIKey is DXSLTEAMFUUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.C2H6/c11-10(12,13)9(5-3-6-9)8-4-1-2-7-14-8;1-2/h1-2,4,14H,3,5-7H2;1-2H3.
What are the key properties of ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine?
ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine has a molecular weight of 233.28 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[1-(trifluoromethyl)cyclobutyl]-1,2-dihydropyridine is sourced from PubChem (CID 143824332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).