4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene

C24H28F4O — CID 139748632

IUPAC4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
SMILESCCCCC1CCC(c2ccc(Cc3ccc(OC(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H28F4O/c1-2-3-4-17-5-10-20(11-6-17)21-12-7-18(8-13-21)15-19-9-14-23(22(25)16-19)29-24(26,27)28/h7-9,12-14,16-17,20H,2-6,10-11,15H2,1H3
InChIKeyGTBWUAMYPVLGPG-UHFFFAOYSA-N
MW408.48 g/mol
LogP7.78
Rot. Bonds7

About 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene

4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene (PubChem CID 139748632) has the molecular formula C24H28F4O and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
PubChem CID139748632
Molecular FormulaC24H28F4O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
SMILESCCCCC1CCC(c2ccc(Cc3ccc(OC(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H28F4O/c1-2-3-4-17-5-10-20(11-6-17)21-12-7-18(8-13-21)15-19-9-14-23(22(25)16-19)29-24(26,27)28/h7-9,12-14,16-17,20H,2-6,10-11,15H2,1H3
InChIKeyGTBWUAMYPVLGPG-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
4-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 139629446
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 19366440
5-[4-(4-butylcyclohexyl)phenyl]-1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene;1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]benzene;1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-propylcyclohexyl)phenyl]benzene;5-[4-(4-ethylcyclohexyl)phenyl]-1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 161310838
2-chloro-1,3-difluoro-5-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748672
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 22080372
2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]-1-(trifluoromethoxy)benzene
CID 139629293
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
2,3-difluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858776
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 54522843
4-butyl-1-[4-butyl-2-[[4-(4-butylcyclohexyl)phenyl]methyl]phenoxy]-2-[[4-(4-butylcyclohexyl)phenyl]methyl]benzene
CID 70529669

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene (CID 139748632) is 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene is CCCCC1CCC(c2ccc(Cc3ccc(OC(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene?
The InChIKey is GTBWUAMYPVLGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4O/c1-2-3-4-17-5-10-20(11-6-17)21-12-7-18(8-13-21)15-19-9-14-23(22(25)16-19)29-24(26,27)28/h7-9,12-14,16-17,20H,2-6,10-11,15H2,1H3.
What are the key properties of 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene?
4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene has a molecular weight of 408.48 g/mol, XLogP of 7.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 139748632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).