1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene

C24H27F5O2 — CID 19103772

IUPAC1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCCCC1CCC(COc2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2F)CC1
InChIInChI=1S/C24H27F5O2/c1-2-3-4-16-5-7-17(8-6-16)15-30-21-14-13-20(22(25)23(21)26)18-9-11-19(12-10-18)31-24(27,28)29/h9-14,16-17H,2-8,15H2,1H3
InChIKeyLTIJPUSFFCLVFE-UHFFFAOYSA-N
MW442.47 g/mol
LogP7.91
Rot. Bonds8

About 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene

1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 19103772) has the molecular formula C24H27F5O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID19103772
Molecular FormulaC24H27F5O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCCCC1CCC(COc2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2F)CC1
InChIInChI=1S/C24H27F5O2/c1-2-3-4-16-5-7-17(8-6-16)15-30-21-14-13-20(22(25)23(21)26)18-9-11-19(12-10-18)31-24(27,28)29/h9-14,16-17H,2-8,15H2,1H3
InChIKeyLTIJPUSFFCLVFE-UHFFFAOYSA-N
XLogP7.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436006
1-ethoxy-2,3-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 19436318
1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene
CID 162050662
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1-[[4-(4-butylcyclohexyl)cyclohexyl]methoxy]-4-(2-chloro-3-fluoro-4-methylphenyl)-2,3-difluorobenzene
CID 18332053
1-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 102290250
1-[[4-(4-butoxy-3-fluorophenyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89429869
2,3-difluoro-1-octoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 14495692
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-octoxybenzene
CID 134358528
1-[4-(4-butylcyclohexyl)phenyl]-3,4-difluoro-2-[4-(trifluoromethoxy)phenoxy]benzene
CID 22440352

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene (CID 19103772) is 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene is CCCCC1CCC(COc2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2F)CC1.
What is the InChIKey of 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is LTIJPUSFFCLVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5O2/c1-2-3-4-16-5-7-17(8-6-16)15-30-21-14-13-20(22(25)23(21)26)18-9-11-19(12-10-18)31-24(27,28)29/h9-14,16-17H,2-8,15H2,1H3.
What are the key properties of 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 442.47 g/mol, XLogP of 7.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 19103772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).