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

C25H30F4O — CID 54522843

IUPAC4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
SMILESCCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C25H30F4O/c1-2-3-4-18-5-10-20(11-6-18)22-14-13-21(24(26)17-22)12-7-19-8-15-23(16-9-19)30-25(27,28)29/h8-9,13-18,20H,2-7,10-12H2,1H3
InChIKeyYRAWPOPDEZBDOG-UHFFFAOYSA-N
MW422.51 g/mol
LogP7.97
Rot. Bonds8

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

4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene (PubChem CID 54522843) has the molecular formula C25H30F4O and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
PubChem CID54522843
Molecular FormulaC25H30F4O
Molecular Weight422.51 g/mol
Exact Mass422.22
IUPAC Name4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
SMILESCCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C25H30F4O/c1-2-3-4-18-5-10-20(11-6-18)22-14-13-21(24(26)17-22)12-7-19-8-15-23(16-9-19)30-25(27,28)29/h8-9,13-18,20H,2-7,10-12H2,1H3
InChIKeyYRAWPOPDEZBDOG-UHFFFAOYSA-N
XLogP7.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 19366440
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 23298836
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
2-chloro-1,3-difluoro-5-[2-[2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54379850
1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139874301
1,3-difluoro-5-[2-[2-fluoro-4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 22373761
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 67901195
4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 139748632
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene?
The IUPAC name of 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene (CID 54522843) is 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene.
What is the SMILES notation for 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene?
The canonical SMILES for 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene is CCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene?
The InChIKey is YRAWPOPDEZBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F4O/c1-2-3-4-18-5-10-20(11-6-18)22-14-13-21(24(26)17-22)12-7-19-8-15-23(16-9-19)30-25(27,28)29/h8-9,13-18,20H,2-7,10-12H2,1H3.
What are the key properties of 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene?
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene has a molecular weight of 422.51 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene is sourced from PubChem (CID 54522843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).