1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone

C10H12F3NO — CID 123837083

IUPAC1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESC=C1CN(C(=O)C(F)(F)F)CCC1=CC
InChIInChI=1S/C10H12F3NO/c1-3-8-4-5-14(6-7(8)2)9(15)10(11,12)13/h3H,2,4-6H2,1H3
InChIKeyZREOOLJQVXUNBA-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.28
Rot. Bonds

About 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 123837083) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID123837083
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESC=C1CN(C(=O)C(F)(F)F)CCC1=CC
InChIInChI=1S/C10H12F3NO/c1-3-8-4-5-14(6-7(8)2)9(15)10(11,12)13/h3H,2,4-6H2,1H3
InChIKeyZREOOLJQVXUNBA-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-acetyl-4-ethylidene-
CID 45085969
1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
(3E)-1-methyl-3-(2,2,2-trifluoroethylidene)piperidin-2-one
CID 10774144
2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone
CID 58792930
3-Methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 59284218
(4,4-Difluoropiperidin-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 70224442
2-(1-(2,2-Difluoropropanoyl)piperidin-4-ylidene)acetonitrile
CID 90459366
2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106316942
2,2,2-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 115768355
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
2,2-dimethyl-1-[4-[(Z)-1,1,1-trifluorobut-2-en-2-yl]piperidin-1-yl]propan-1-one
CID 126750316
1-[4-[(Z)-1,1,1-trifluorobut-2-en-2-yl]piperidin-1-yl]ethanone
CID 126758347

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone (CID 123837083) is 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone is C=C1CN(C(=O)C(F)(F)F)CCC1=CC.
What is the InChIKey of 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is ZREOOLJQVXUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-3-8-4-5-14(6-7(8)2)9(15)10(11,12)13/h3H,2,4-6H2,1H3.
What are the key properties of 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 219.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 123837083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).