1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone

C15H16F3NO — CID 176516102

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone
SMILESC=Cc1cc(CC(=O)N2CCC(F)(F)CC2)ccc1F
InChIInChI=1S/C15H16F3NO/c1-2-12-9-11(3-4-13(12)16)10-14(20)19-7-5-15(17,18)6-8-19/h2-4,9H,1,5-8,10H2
InChIKeyRBXMNDONPSHUCW-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.27
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone

1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone (PubChem CID 176516102) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone
PubChem CID176516102
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone
SMILESC=Cc1cc(CC(=O)N2CCC(F)(F)CC2)ccc1F
InChIInChI=1S/C15H16F3NO/c1-2-12-9-11(3-4-13(12)16)10-14(20)19-7-5-15(17,18)6-8-19/h2-4,9H,1,5-8,10H2
InChIKeyRBXMNDONPSHUCW-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
CID 176516089
tert-butyl 4-[2-(3-ethenyl-4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 176516106
2-(5-bromo-2-fluorophenyl)-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 176516464
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 118794776
1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512865
1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528184
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 120809329
4-[4-[2-(3,4-difluorophenyl)acetyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 6735027
2-(3-bromo-4-fluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111434111
2-fluoro-4-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzoic acid
CID 166284704
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 133121724

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone (CID 176516102) is 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone is C=Cc1cc(CC(=O)N2CCC(F)(F)CC2)ccc1F.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone?
The InChIKey is RBXMNDONPSHUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-2-12-9-11(3-4-13(12)16)10-14(20)19-7-5-15(17,18)6-8-19/h2-4,9H,1,5-8,10H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone has a molecular weight of 283.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone is sourced from PubChem (CID 176516102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).