2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C16H17F4NO — CID 176515222

IUPAC2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=Cc1cc(F)cc(CC(=O)N2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C16H17F4NO/c1-2-11-6-12(8-14(17)7-11)9-15(22)21-5-3-4-13(10-21)16(18,19)20/h2,6-8,13H,1,3-5,9-10H2
InChIKeyDWDLOGRTDWBWOD-UHFFFAOYSA-N
MW315.31 g/mol
LogP3.81
Rot. Bonds3

About 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 176515222) has the molecular formula C16H17F4NO and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID176515222
Molecular FormulaC16H17F4NO
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC Name2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=Cc1cc(F)cc(CC(=O)N2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C16H17F4NO/c1-2-11-6-12(8-14(17)7-11)9-15(22)21-5-3-4-13(10-21)16(18,19)20/h2,6-8,13H,1,3-5,9-10H2
InChIKeyDWDLOGRTDWBWOD-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

N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide
CID 176515195
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-(5-ethenyl-2-fluorophenyl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 172648365
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 46656024
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62797835
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87014243
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87012618
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
CID 62690576
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
5-bromo-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 107909095
2-(1-aminocyclopentyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 64684265

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 176515222) is 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is C=Cc1cc(F)cc(CC(=O)N2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is DWDLOGRTDWBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4NO/c1-2-11-6-12(8-14(17)7-11)9-15(22)21-5-3-4-13(10-21)16(18,19)20/h2,6-8,13H,1,3-5,9-10H2.
What are the key properties of 2-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(3-ethenyl-5-fluorophenyl)-1-[3-(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-(3-ethenyl-5-fluorophenyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 176515222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).