1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane

C21H24F4 — CID 144602990

IUPAC1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane
SMILESCC1CCCCC1.Cc1ccc(-c2ccc(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H10F4.C7H14/c1-7-3-5-9(13(17)11(7)15)10-6-4-8(2)12(16)14(10)18;1-7-5-3-2-4-6-7/h3-6H,1-2H3;7H,2-6H2,1H3
InChIKeyOCHJUGOKAVJECF-UHFFFAOYSA-N
MW352.42 g/mol
LogP7.11
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane

1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane (PubChem CID 144602990) has the molecular formula C21H24F4 and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane
PubChem CID144602990
Molecular FormulaC21H24F4
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane
SMILESCC1CCCCC1.Cc1ccc(-c2ccc(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H10F4.C7H14/c1-7-3-5-9(13(17)11(7)15)10-6-4-8(2)12(16)14(10)18;1-7-5-3-2-4-6-7/h3-6H,1-2H3;7H,2-6H2,1H3
InChIKeyOCHJUGOKAVJECF-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane (CID 144602990) is 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane is CC1CCCCC1.Cc1ccc(-c2ccc(C)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane?
The InChIKey is OCHJUGOKAVJECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4.C7H14/c1-7-3-5-9(13(17)11(7)15)10-6-4-8(2)12(16)14(10)18;1-7-5-3-2-4-6-7/h3-6H,1-2H3;7H,2-6H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane?
1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane has a molecular weight of 352.42 g/mol, XLogP of 7.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane is sourced from PubChem (CID 144602990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).