2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene

C15H16F6O2 — CID 20591349

IUPAC2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene
SMILESCC1CCC(C(F)(F)Oc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H16F6O2/c1-8-2-4-9(5-3-8)15(20,21)23-10-6-11(16)13(12(17)7-10)22-14(18)19/h6-9,14H,2-5H2,1H3
InChIKeyRANSGJOVEXTWTD-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.36
Rot. Bonds5

About 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene

2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene (PubChem CID 20591349) has the molecular formula C15H16F6O2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene
PubChem CID20591349
Molecular FormulaC15H16F6O2
Molecular Weight342.28 g/mol
Exact Mass342.11
IUPAC Name2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene
SMILESCC1CCC(C(F)(F)Oc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H16F6O2/c1-8-2-4-9(5-3-8)15(20,21)23-10-6-11(16)13(12(17)7-10)22-14(18)19/h6-9,14H,2-5H2,1H3
InChIKeyRANSGJOVEXTWTD-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluoro-2-iodobenzene
CID 121367346
[4-[difluoro-(4-methylcyclohexyl)methoxy]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane
CID 21363259
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 135223773
5-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 122502050
4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;methane;molecular hydrogen
CID 158144019
5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2-fluoro-1,3-dimethylbenzene
CID 20793286
[4-(difluoromethoxy)-3,5-difluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 20591361
4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 59641363
2-(difluoromethoxy)-5-[1,1-difluoro-3-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]propoxy]-1,3-difluorobenzene
CID 59048932
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene
CID 20705614
[3-[4-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-2-(4-methylcyclohexyl)propoxy]methanol
CID 143908565
(3,4,5-trifluorophenyl) 4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,6-difluorobenzoate
CID 20802027

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene?
The IUPAC name of 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene (CID 20591349) is 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene.
What is the SMILES notation for 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene?
The canonical SMILES for 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene is CC1CCC(C(F)(F)Oc2cc(F)c(OC(F)F)c(F)c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene?
The InChIKey is RANSGJOVEXTWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6O2/c1-8-2-4-9(5-3-8)15(20,21)23-10-6-11(16)13(12(17)7-10)22-14(18)19/h6-9,14H,2-5H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene?
2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene has a molecular weight of 342.28 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene is sourced from PubChem (CID 20591349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).