(2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone

C22H36F2O2 — CID 170378401

IUPAC(2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone
SMILESCOC1CC(C)C(C(=O)C2CCC(C3CCC(C)CC3)CC2)C(F)C1F
InChIInChI=1S/C22H36F2O2/c1-13-4-6-15(7-5-13)16-8-10-17(11-9-16)22(25)19-14(2)12-18(26-3)20(23)21(19)24/h13-21H,4-12H2,1-3H3
InChIKeyKQRAXMAQRRYNLG-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.54
Rot. Bonds4

About (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone

(2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone (PubChem CID 170378401) has the molecular formula C22H36F2O2 and a molecular weight of 370.52 g/mol. Its IUPAC name is (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone
PubChem CID170378401
Molecular FormulaC22H36F2O2
Molecular Weight370.52 g/mol
Exact Mass370.27
IUPAC Name(2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone
SMILESCOC1CC(C)C(C(=O)C2CCC(C3CCC(C)CC3)CC2)C(F)C1F
InChIInChI=1S/C22H36F2O2/c1-13-4-6-15(7-5-13)16-8-10-17(11-9-16)22(25)19-14(2)12-18(26-3)20(23)21(19)24/h13-21H,4-12H2,1-3H3
InChIKeyKQRAXMAQRRYNLG-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone 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

[4-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluorocyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 122549571
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
(4-ethoxy-2,3-difluoro-5-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 153375909
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
(3,4,5-trimethylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 59929179
[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 123136286
(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone
CID 118883086
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
CID 59881533
CID 59881533
(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
CID 59938817
[(1R)-3,4,5-trifluorocyclohexa-2,4-dien-1-yl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 134568806
ethenyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 157183095

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone?
The IUPAC name of (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone (CID 170378401) is (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone.
What is the SMILES notation for (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone?
The canonical SMILES for (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone is COC1CC(C)C(C(=O)C2CCC(C3CCC(C)CC3)CC2)C(F)C1F.
What is the InChIKey of (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone?
The InChIKey is KQRAXMAQRRYNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36F2O2/c1-13-4-6-15(7-5-13)16-8-10-17(11-9-16)22(25)19-14(2)12-18(26-3)20(23)21(19)24/h13-21H,4-12H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone?
(2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone has a molecular weight of 370.52 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methoxy-6-methylcyclohexyl)-[4-(4-methylcyclohexyl)cyclohexyl]methanone is sourced from PubChem (CID 170378401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).