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

C22H32F2 — CID 22184032

IUPAC2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H32F2/c1-3-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-5-15(2)21(23)22(20)24/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKeyWHGVTSKLKPNRHU-UHFFFAOYSA-N
MW334.49 g/mol
LogP7.15
Rot. Bonds4

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

2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 22184032) has the molecular formula C22H32F2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID22184032
Molecular FormulaC22H32F2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC Name2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C22H32F2/c1-3-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-5-15(2)21(23)22(20)24/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKeyWHGVTSKLKPNRHU-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 57.15
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-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 22184032) is 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(C)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is WHGVTSKLKPNRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2/c1-3-4-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-5-15(2)21(23)22(20)24/h5,14,16-19H,3-4,6-13H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 334.49 g/mol, XLogP of 7.15, 4 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-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 22184032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).