2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C16H17F4NO — CID 172648365

IUPAC2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=Cc1ccc(F)c(CC(=O)N2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H17F4NO/c1-2-11-3-4-14(17)12(9-11)10-15(22)21-7-5-13(6-8-21)16(18,19)20/h2-4,9,13H,1,5-8,10H2
InChIKeyNZFHMHIMZHZSID-UHFFFAOYSA-N
MW315.31 g/mol
LogP3.81
Rot. Bonds3

About 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 172648365) has the molecular formula C16H17F4NO and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID172648365
Molecular FormulaC16H17F4NO
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC Name2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=Cc1ccc(F)c(CC(=O)N2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H17F4NO/c1-2-11-3-4-14(17)12(9-11)10-15(22)21-7-5-13(6-8-21)16(18,19)20/h2-4,9,13H,1,5-8,10H2
InChIKeyNZFHMHIMZHZSID-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 81312460
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 176516272
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119280540
3-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031440
2-fluoro-5-[4-(trifluoromethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 20506103
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 171392209
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119636794
2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105088329

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 172648365) is 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is C=Cc1ccc(F)c(CC(=O)N2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is NZFHMHIMZHZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4NO/c1-2-11-3-4-14(17)12(9-11)10-15(22)21-7-5-13(6-8-21)16(18,19)20/h2-4,9,13H,1,5-8,10H2.
What are the key properties of 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 315.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 172648365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).