1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

C22H30F4O2 — CID 134477175

IUPAC1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(OC(F)(F)C2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C22H30F4O2/c1-3-27-18-12-13-19(21(24)20(18)23)28-22(25,26)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h12-17H,3-11H2,1-2H3
InChIKeyGZRZPCMJXFTTCO-UHFFFAOYSA-N
MW402.47 g/mol
LogP6.97
Rot. Bonds6

About 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (PubChem CID 134477175) has the molecular formula C22H30F4O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
PubChem CID134477175
Molecular FormulaC22H30F4O2
Molecular Weight402.47 g/mol
Exact Mass402.22
IUPAC Name1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(OC(F)(F)C2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C22H30F4O2/c1-3-27-18-12-13-19(21(24)20(18)23)28-22(25,26)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h12-17H,3-11H2,1-2H3
InChIKeyGZRZPCMJXFTTCO-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
CID 21353205
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 121354195
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2-fluoro-1,3-dimethylbenzene
CID 20793286
6-[4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorophenyl]-1,2,3,8-tetrafluoronaphthalene
CID 118900566
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-(fluoromethoxy)benzene
CID 20596725
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
1-[4-[difluoro-(4-methylcyclohexyl)methoxy]-3-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 131991210
4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
CID 141298262
2-chloro-1-[difluoro-(4-methylcyclohexyl)methoxy]-3-fluoro-4-methylbenzene;3-chloro-1-[difluoro-(4-methylcyclohexyl)methoxy]-2-fluoro-4-methylbenzene;molecular hydrogen
CID 158337726

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (CID 134477175) is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene is CCOc1ccc(OC(F)(F)C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is GZRZPCMJXFTTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F4O2/c1-3-27-18-12-13-19(21(24)20(18)23)28-22(25,26)17-10-8-16(9-11-17)15-6-4-14(2)5-7-15/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 402.47 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 134477175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).