2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C22H30F4O — CID 18659088

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(F)c(OC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H30F4O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(23)21(20(24)13-18)27-22(25)26/h12-17,22H,2-11H2,1H3
InChIKeyGMCGTWFHMSDTJZ-UHFFFAOYSA-N
MW386.47 g/mol
LogP7.45
Rot. Bonds6

About 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 18659088) has the molecular formula C22H30F4O and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID18659088
Molecular FormulaC22H30F4O
Molecular Weight386.47 g/mol
Exact Mass386.22
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cc(F)c(OC(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H30F4O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(23)21(20(24)13-18)27-22(25)26/h12-17,22H,2-11H2,1H3
InChIKeyGMCGTWFHMSDTJZ-UHFFFAOYSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 18659088) is 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3cc(F)c(OC(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is GMCGTWFHMSDTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F4O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(23)21(20(24)13-18)27-22(25)26/h12-17,22H,2-11H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 386.47 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 18659088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).