2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone

C13H15F4NO — CID 150557876

IUPAC2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone
SMILESO=C(C1C=CC=CC1(F)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H15F4NO/c14-12(9-4-7-18-8-5-9)6-2-1-3-10(12)11(19)13(15,16)17/h1-3,6,9-10,18H,4-5,7-8H2
InChIKeyIJFDZXFKLILFBV-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.57
Rot. Bonds2

About 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone

2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 150557876) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone
PubChem CID150557876
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone
SMILESO=C(C1C=CC=CC1(F)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H15F4NO/c14-12(9-4-7-18-8-5-9)6-2-1-3-10(12)11(19)13(15,16)17/h1-3,6,9-10,18H,4-5,7-8H2
InChIKeyIJFDZXFKLILFBV-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone with MolForge

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Related Compounds

1-(1,2,3,4,4a,5-Hexahydroisoquinolin-3-yl)-2,2,2-trifluoroethanone
CID 67104330
(4,4-Difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone
CID 141328386
2-(2,3-Difluorocyclohepta-1,3,6-trien-1-yl)-1-piperidin-4-ylethanone
CID 142816297
5-Piperidin-4-ylcyclohexa-2,4-dien-1-one
CID 173210401

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone (CID 150557876) is 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone is O=C(C1C=CC=CC1(F)C1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is IJFDZXFKLILFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-12(9-4-7-18-8-5-9)6-2-1-3-10(12)11(19)13(15,16)17/h1-3,6,9-10,18H,4-5,7-8H2.
What are the key properties of 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone?
2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 277.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 150557876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).