4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene

C25H27F7O — CID 22080372

IUPAC4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H27F7O/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-22(21(26)15-20)33-25(31,32)23(27)24(28,29)30/h9-17,23H,2-8H2,1H3
InChIKeyFPOVTQTUHCWHSE-UHFFFAOYSA-N
MW476.48 g/mol
LogP8.83
Rot. Bonds8

About 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene

4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene (PubChem CID 22080372) has the molecular formula C25H27F7O and a molecular weight of 476.48 g/mol. Its IUPAC name is 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene.

Molecular Properties

Compound Name4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene
PubChem CID22080372
Molecular FormulaC25H27F7O
Molecular Weight476.48 g/mol
Exact Mass476.20
IUPAC Name4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C25H27F7O/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-22(21(26)15-20)33-25(31,32)23(27)24(28,29)30/h9-17,23H,2-8H2,1H3
InChIKeyFPOVTQTUHCWHSE-UHFFFAOYSA-N
XLogP8.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 22080455
2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-(4-pentylcyclohexyl)benzene
CID 22080156
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
1-(4-heptylcyclohexyl)-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 23193009
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene
CID 54167691
2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 22080309
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
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 22080296
2-fluoro-4-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]-1-(trifluoromethoxy)benzene
CID 19702571
4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 139748632
1,3-difluoro-5-[4-(4-pentylcyclohexyl)phenyl]-2-(trifluoromethoxy)benzene
CID 175686006
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethenyl]benzene
CID 54176052

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The IUPAC name of 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene (CID 22080372) is 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene.
What is the SMILES notation for 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The canonical SMILES for 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene is CCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
The InChIKey is FPOVTQTUHCWHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F7O/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-22(21(26)15-20)33-25(31,32)23(27)24(28,29)30/h9-17,23H,2-8H2,1H3.
What are the key properties of 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene?
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene has a molecular weight of 476.48 g/mol, XLogP of 8.83, 8 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]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene is sourced from PubChem (CID 22080372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).