10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one

C32H48F3NO2 — CID 155621691

IUPAC10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one
SMILESO=C1C2CCCCC2N(C2CCCC(C3CCCC3C3CCC(C(=O)C(F)(F)F)CC3)C2)C2CCCCC12
InChIInChI=1S/C32H48F3NO2/c33-32(34,35)31(38)21-17-15-20(16-18-21)24-11-6-12-25(24)22-7-5-8-23(19-22)36-28-13-3-1-9-26(28)30(37)27-10-2-4-14-29(27)36/h20-29H,1-19H2
InChIKeyBXWSSTRRMOVCTJ-UHFFFAOYSA-N
MW535.74 g/mol
LogP7.90
Rot. Bonds4

About 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one

10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one (PubChem CID 155621691) has the molecular formula C32H48F3NO2 and a molecular weight of 535.74 g/mol. Its IUPAC name is 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one.

Molecular Properties

Compound Name10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one
PubChem CID155621691
Molecular FormulaC32H48F3NO2
Molecular Weight535.74 g/mol
Exact Mass535.36
IUPAC Name10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one
SMILESO=C1C2CCCCC2N(C2CCCC(C3CCCC3C3CCC(C(=O)C(F)(F)F)CC3)C2)C2CCCCC12
InChIInChI=1S/C32H48F3NO2/c33-32(34,35)31(38)21-17-15-20(16-18-21)24-11-6-12-25(24)22-7-5-8-23(19-22)36-28-13-3-1-9-26(28)30(37)27-10-2-4-14-29(27)36/h20-29H,1-19H2
InChIKeyBXWSSTRRMOVCTJ-UHFFFAOYSA-N
XLogP7.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one with MolForge

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Related Compounds

1-[4-[4-[6-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[2,3-b]indol-9-yl]cyclohexyl]cyclohexyl]-2,2,2-trifluoroethanone
CID 140888840
[4-[4-[3-[14-[3-[4-[4-(cyclohexanecarbonyl)cyclohexyl]cyclohexyl]cyclohexyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosan-9-yl]cyclohexyl]cyclohexyl]cyclohexyl]-cyclohexylmethanone
CID 140888745
1-cyclopentyl-2,2,2-trifluoroethanone
CID 15002815
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene-2-carbonyl chloride
CID 142043331
9-(3-cyclohexylcyclohexyl)-3-[9-(3-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(4-cyclohexylcyclohexyl)-3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 161252152
9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 155326548
3-[3-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)cyclohexyl]-9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 159703470
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
11-methyl-11-azatricyclo[10.7.1.02,10]icosane
CID 166832080
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
1-cyclopentyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470314
9-(2,2,2-trifluoroacetyl)bicyclo[3.3.1]nonan-3-one
CID 100927559

Frequently Asked Questions

What is the IUPAC name of 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one?
The IUPAC name of 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one (CID 155621691) is 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one.
What is the SMILES notation for 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one?
The canonical SMILES for 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one is O=C1C2CCCCC2N(C2CCCC(C3CCCC3C3CCC(C(=O)C(F)(F)F)CC3)C2)C2CCCCC12.
What is the InChIKey of 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one?
The InChIKey is BXWSSTRRMOVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48F3NO2/c33-32(34,35)31(38)21-17-15-20(16-18-21)24-11-6-12-25(24)22-7-5-8-23(19-22)36-28-13-3-1-9-26(28)30(37)27-10-2-4-14-29(27)36/h20-29H,1-19H2.
What are the key properties of 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one?
10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one has a molecular weight of 535.74 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[2-[4-(2,2,2-trifluoroacetyl)cyclohexyl]cyclopentyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroacridin-9-one is sourced from PubChem (CID 155621691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).