2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene

C18H26F2O — CID 20759503

IUPAC2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene
SMILESCCC1CCC(c2cc(C)c(C(F)(F)OC)c(C)c2)CC1
InChIInChI=1S/C18H26F2O/c1-5-14-6-8-15(9-7-14)16-10-12(2)17(13(3)11-16)18(19,20)21-4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyRGTDXKCSCAOEKV-UHFFFAOYSA-N
MW296.40 g/mol
LogP5.68
Rot. Bonds4

About 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene

2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene (PubChem CID 20759503) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene
PubChem CID20759503
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Name2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene
SMILESCCC1CCC(c2cc(C)c(C(F)(F)OC)c(C)c2)CC1
InChIInChI=1S/C18H26F2O/c1-5-14-6-8-15(9-7-14)16-10-12(2)17(13(3)11-16)18(19,20)21-4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyRGTDXKCSCAOEKV-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 139710881
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683489
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[3-[3-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]propoxy]propyl]-1,3-difluorobenzene
CID 140976214
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenol
CID 165344858
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
5-[4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 139629305
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-[2-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluorophenyl]ethoxy]ethyl]-1,3-difluorobenzene
CID 140976229
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene?
The IUPAC name of 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene (CID 20759503) is 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene is CCC1CCC(c2cc(C)c(C(F)(F)OC)c(C)c2)CC1.
What is the InChIKey of 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene?
The InChIKey is RGTDXKCSCAOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O/c1-5-14-6-8-15(9-7-14)16-10-12(2)17(13(3)11-16)18(19,20)21-4/h10-11,14-15H,5-9H2,1-4H3.
What are the key properties of 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene?
2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene has a molecular weight of 296.40 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methoxy)methyl]-5-(4-ethylcyclohexyl)-1,3-dimethylbenzene is sourced from PubChem (CID 20759503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).