2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene

C20H25F5 — CID 69029655

IUPAC2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCc1ccc(C2(F)CCC(C3CCC(C)CC3)CC2(F)F)c(F)c1F
InChIInChI=1S/C20H25F5/c1-12-3-6-14(7-4-12)15-9-10-19(23,20(24,25)11-15)16-8-5-13(2)17(21)18(16)22/h5,8,12,14-15H,3-4,6-7,9-11H2,1-2H3
InChIKeyIATMOHJMRPXTOK-UHFFFAOYSA-N
MW360.41 g/mol
LogP6.70
Rot. Bonds2

About 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene

2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 69029655) has the molecular formula C20H25F5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene
PubChem CID69029655
Molecular FormulaC20H25F5
Molecular Weight360.41 g/mol
Exact Mass360.19
IUPAC Name2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCc1ccc(C2(F)CCC(C3CCC(C)CC3)CC2(F)F)c(F)c1F
InChIInChI=1S/C20H25F5/c1-12-3-6-14(7-4-12)15-9-10-19(23,20(24,25)11-15)16-8-5-13(2)17(21)18(16)22/h5,8,12,14-15H,3-4,6-7,9-11H2,1-2H3
InChIKeyIATMOHJMRPXTOK-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 69029655) is 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene is Cc1ccc(C2(F)CCC(C3CCC(C)CC3)CC2(F)F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene?
The InChIKey is IATMOHJMRPXTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F5/c1-12-3-6-14(7-4-12)15-9-10-19(23,20(24,25)11-15)16-8-5-13(2)17(21)18(16)22/h5,8,12,14-15H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene?
2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 360.41 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 69029655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).