6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran

C25H34F2O — CID 118583470

IUPAC6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2CCC(C3=CCC(C4CCC(C)CC4)CO3)CC2)c(F)c1F
InChIInChI=1S/C25H34F2O/c1-16-3-6-18(7-4-16)21-12-14-23(28-15-21)20-10-8-19(9-11-20)22-13-5-17(2)24(26)25(22)27/h5,13-14,16,18-21H,3-4,6-12,15H2,1-2H3
InChIKeyNSQSAKSQPQXXFB-UHFFFAOYSA-N
MW388.54 g/mol
LogP7.29
Rot. Bonds3

About 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran

6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (PubChem CID 118583470) has the molecular formula C25H34F2O and a molecular weight of 388.54 g/mol. Its IUPAC name is 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
PubChem CID118583470
Molecular FormulaC25H34F2O
Molecular Weight388.54 g/mol
Exact Mass388.26
IUPAC Name6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCc1ccc(C2CCC(C3=CCC(C4CCC(C)CC4)CO3)CC2)c(F)c1F
InChIInChI=1S/C25H34F2O/c1-16-3-6-18(7-4-16)21-12-14-23(28-15-21)20-10-8-19(9-11-20)22-13-5-17(2)24(26)25(22)27/h5,13-14,16,18-21H,3-4,6-12,15H2,1-2H3
InChIKeyNSQSAKSQPQXXFB-UHFFFAOYSA-N
XLogP7.29
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 ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583442
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
3-(4-ethoxy-2,3-difluorophenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118586739
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 118583459
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583572
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
5-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]-2-methyl-3,4-dihydro-2H-pyran
CID 118358966

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran (CID 118583470) is 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is Cc1ccc(C2CCC(C3=CCC(C4CCC(C)CC4)CO3)CC2)c(F)c1F.
What is the InChIKey of 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
The InChIKey is NSQSAKSQPQXXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2O/c1-16-3-6-18(7-4-16)21-12-14-23(28-15-21)20-10-8-19(9-11-20)22-13-5-17(2)24(26)25(22)27/h5,13-14,16,18-21H,3-4,6-12,15H2,1-2H3.
What are the key properties of 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran?
6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran has a molecular weight of 388.54 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).