1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene

C28H27F5 — CID 162555993

IUPAC1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
SMILESCC1CCC(c2ccc(-c3ccc(CCc4cc(F)c(C(F)(F)F)c(F)c4)cc3)cc2)CC1
InChIInChI=1S/C28H27F5/c1-18-2-8-21(9-3-18)23-12-14-24(15-13-23)22-10-6-19(7-11-22)4-5-20-16-25(29)27(26(30)17-20)28(31,32)33/h6-7,10-18,21H,2-5,8-9H2,1H3
InChIKeyAZLIEJZVUWTHNA-UHFFFAOYSA-N
MW458.51 g/mol
LogP8.73
Rot. Bonds5

About 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene

1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene (PubChem CID 162555993) has the molecular formula C28H27F5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
PubChem CID162555993
Molecular FormulaC28H27F5
Molecular Weight458.51 g/mol
Exact Mass458.20
IUPAC Name1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
SMILESCC1CCC(c2ccc(-c3ccc(CCc4cc(F)c(C(F)(F)F)c(F)c4)cc3)cc2)CC1
InChIInChI=1S/C28H27F5/c1-18-2-8-21(9-3-18)23-12-14-24(15-13-23)22-10-6-19(7-11-22)4-5-20-16-25(29)27(26(30)17-20)28(31,32)33/h6-7,10-18,21H,2-5,8-9H2,1H3
InChIKeyAZLIEJZVUWTHNA-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385102
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1,3-difluoro-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 70820945
1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 155471466
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
CID 118858786
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 91212587

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene (CID 162555993) is 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene is CC1CCC(c2ccc(-c3ccc(CCc4cc(F)c(C(F)(F)F)c(F)c4)cc3)cc2)CC1.
What is the InChIKey of 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene?
The InChIKey is AZLIEJZVUWTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F5/c1-18-2-8-21(9-3-18)23-12-14-24(15-13-23)22-10-6-19(7-11-22)4-5-20-16-25(29)27(26(30)17-20)28(31,32)33/h6-7,10-18,21H,2-5,8-9H2,1H3.
What are the key properties of 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene?
1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene has a molecular weight of 458.51 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 162555993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).