2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene

C24H18F8 — CID 139758638

IUPAC2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(CCc2cc(F)c(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H18F8/c1-2-3-13-8-18(25)16(19(26)9-13)6-4-14-10-21(28)23(22(29)11-14)15-5-7-17(20(27)12-15)24(30,31)32/h5,7-12H,2-4,6H2,1H3
InChIKeyDPXAGTWEXKRNBZ-UHFFFAOYSA-N
MW458.39 g/mol
LogP7.81
Rot. Bonds6

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

2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene (PubChem CID 139758638) has the molecular formula C24H18F8 and a molecular weight of 458.39 g/mol. Its IUPAC name is 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene.

Molecular Properties

Compound Name2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
PubChem CID139758638
Molecular FormulaC24H18F8
Molecular Weight458.39 g/mol
Exact Mass458.13
IUPAC Name2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(CCc2cc(F)c(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H18F8/c1-2-3-13-8-18(25)16(19(26)9-13)6-4-14-10-21(28)23(22(29)11-14)15-5-7-17(20(27)12-15)24(30,31)32/h5,7-12H,2-4,6H2,1H3
InChIKeyDPXAGTWEXKRNBZ-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592
5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene
CID 90179489
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971
4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
CID 173305642
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene
CID 122488056
2-chloro-5-[2-[2,6-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758596
2-chloro-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758575
6-(4-ethoxy-2,6-difluorophenyl)-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875560
2-[2-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 90180081
5-[difluoro-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180139

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
The IUPAC name of 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene (CID 139758638) is 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene.
What is the SMILES notation for 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
The canonical SMILES for 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene is CCCc1cc(F)c(CCc2cc(F)c(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
The InChIKey is DPXAGTWEXKRNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F8/c1-2-3-13-8-18(25)16(19(26)9-13)6-4-14-10-21(28)23(22(29)11-14)15-5-7-17(20(27)12-15)24(30,31)32/h5,7-12H,2-4,6H2,1H3.
What are the key properties of 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene has a molecular weight of 458.39 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene is sourced from PubChem (CID 139758638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).