1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one

C33H56FNO2 — CID 135266508

IUPAC1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC1CCC(C2CCC(C3CCC(C4CCC(C(=O)C(C)(C)N5CCOCC5)CC4)CC3)C(F)C2)CC1
InChIInChI=1S/C33H56FNO2/c1-23-4-6-26(7-5-23)29-16-17-30(31(34)22-29)27-12-8-24(9-13-27)25-10-14-28(15-11-25)32(36)33(2,3)35-18-20-37-21-19-35/h23-31H,4-22H2,1-3H3
InChIKeySTVUIPHFOPBLBK-UHFFFAOYSA-N
MW517.81 g/mol
LogP7.86
Rot. Bonds6

About 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 135266508) has the molecular formula C33H56FNO2 and a molecular weight of 517.81 g/mol. Its IUPAC name is 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID135266508
Molecular FormulaC33H56FNO2
Molecular Weight517.81 g/mol
Exact Mass517.43
IUPAC Name1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC1CCC(C2CCC(C3CCC(C4CCC(C(=O)C(C)(C)N5CCOCC5)CC4)CC3)C(F)C2)CC1
InChIInChI=1S/C33H56FNO2/c1-23-4-6-26(7-5-23)29-16-17-30(31(34)22-29)27-12-8-24(9-13-27)25-10-14-28(15-11-25)32(36)33(2,3)35-18-20-37-21-19-35/h23-31H,4-22H2,1-3H3
InChIKeySTVUIPHFOPBLBK-UHFFFAOYSA-N
XLogP7.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.81
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Adamantan-1-yl-2-morpholin-4-yl-propan-1-one
CID 24746871
1-(1-Adamantyl)-2-morpholin-4-ylpropan-1-one
CID 3110950
1-[4-[4-[2-Fluoro-4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 90054942
1-(1-Adamantyl)-2-morpholin-4-ylpropan-1-one chloride
CID 21236485
2-(1-Adamantyl)-7-methyl-7-morpholin-4-yloctan-4-one
CID 159188345
(2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
CID 7065617
(2R)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
CID 7065619
1-(4-Ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045278
1-(4-Ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79064864
2-Methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one
CID 79065536

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 135266508) is 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC1CCC(C2CCC(C3CCC(C4CCC(C(=O)C(C)(C)N5CCOCC5)CC4)CC3)C(F)C2)CC1.
What is the InChIKey of 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is STVUIPHFOPBLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56FNO2/c1-23-4-6-26(7-5-23)29-16-17-30(31(34)22-29)27-12-8-24(9-13-27)25-10-14-28(15-11-25)32(36)33(2,3)35-18-20-37-21-19-35/h23-31H,4-22H2,1-3H3.
What are the key properties of 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 517.81 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 135266508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).