difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene

C21H24F4O — CID 123965488

IUPACdifluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
SMILESCc1ccc(Oc2ccc(C3CCC(C)CC3)cc2)c(F)c1F.FCF
InChIInChI=1S/C20H22F2O.CH2F2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)23-18-12-5-14(2)19(21)20(18)22;2-1-3/h5,8-13,15H,3-4,6-7H2,1-2H3;1H2
InChIKeyXGJKENGBAZXDFO-UHFFFAOYSA-N
MW368.41 g/mol
LogP7.24
Rot. Bonds3

About difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene

difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene (PubChem CID 123965488) has the molecular formula C21H24F4O and a molecular weight of 368.41 g/mol. Its IUPAC name is difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene.

Molecular Properties

Compound Namedifluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
PubChem CID123965488
Molecular FormulaC21H24F4O
Molecular Weight368.41 g/mol
Exact Mass368.18
IUPAC Namedifluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
SMILESCc1ccc(Oc2ccc(C3CCC(C)CC3)cc2)c(F)c1F.FCF
InChIInChI=1S/C20H22F2O.CH2F2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)23-18-12-5-14(2)19(21)20(18)22;2-1-3/h5,8-13,15H,3-4,6-7H2,1-2H3;1H2
InChIKeyXGJKENGBAZXDFO-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
The IUPAC name of difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene (CID 123965488) is difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene.
What is the SMILES notation for difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
The canonical SMILES for difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene is Cc1ccc(Oc2ccc(C3CCC(C)CC3)cc2)c(F)c1F.FCF.
What is the InChIKey of difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
The InChIKey is XGJKENGBAZXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O.CH2F2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)23-18-12-5-14(2)19(21)20(18)22;2-1-3/h5,8-13,15H,3-4,6-7H2,1-2H3;1H2.
What are the key properties of difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene has a molecular weight of 368.41 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene is sourced from PubChem (CID 123965488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).