5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran

C25H34F2O — CID 118358966

IUPAC5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2CCC(C3CCC(C4=COC(C)CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H34F2O/c1-16-3-14-23(25(27)24(16)26)21-12-10-19(11-13-21)18-6-8-20(9-7-18)22-5-4-17(2)28-15-22/h3,14-15,17-21H,4-13H2,1-2H3
InChIKeyMLNLIVPCHILXKV-UHFFFAOYSA-N
MW388.54 g/mol
LogP7.44
Rot. Bonds3

About 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran

5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran (PubChem CID 118358966) has the molecular formula C25H34F2O and a molecular weight of 388.54 g/mol. Its IUPAC name is 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran
PubChem CID118358966
Molecular FormulaC25H34F2O
Molecular Weight388.54 g/mol
Exact Mass388.26
IUPAC Name5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2CCC(C3CCC(C4=COC(C)CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H34F2O/c1-16-3-14-23(25(27)24(16)26)21-12-10-19(11-13-21)18-6-8-20(9-7-18)22-5-4-17(2)28-15-22/h3,14-15,17-21H,4-13H2,1-2H3
InChIKeyMLNLIVPCHILXKV-UHFFFAOYSA-N
XLogP7.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 170391070
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583470
2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
CID 158692568
2,3-difluoro-1-[4-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 118316622
2-butyl-6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868866
2,3-difluoro-1-methyl-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene;rhenium
CID 173489359
4-[4-(3-chloro-2-fluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-amine
CID 130252791

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran (CID 118358966) is 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran is Cc1ccc(C2CCC(C3CCC(C4=COC(C)CC4)CC3)CC2)c(F)c1F.
What is the InChIKey of 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran?
The InChIKey is MLNLIVPCHILXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2O/c1-16-3-14-23(25(27)24(16)26)21-12-10-19(11-13-21)18-6-8-20(9-7-18)22-5-4-17(2)28-15-22/h3,14-15,17-21H,4-13H2,1-2H3.
What are the key properties of 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran?
5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran has a molecular weight of 388.54 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118358966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).