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

C26H23F7 — CID 139758592

IUPAC2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(CCc2cc(F)c(CCc3ccc(C(F)(F)F)cc3)c(F)c2)c(F)c1
InChIInChI=1S/C26H23F7/c1-2-3-17-12-22(27)21(23(28)13-17)11-7-18-14-24(29)20(25(30)15-18)10-6-16-4-8-19(9-5-16)26(31,32)33/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3
InChIKeyDIASYMWFHHPDPV-UHFFFAOYSA-N
MW468.46 g/mol
LogP7.78
Rot. Bonds8

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

2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene (PubChem CID 139758592) has the molecular formula C26H23F7 and a molecular weight of 468.46 g/mol. Its IUPAC name is 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene.

Molecular Properties

Compound Name2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
PubChem CID139758592
Molecular FormulaC26H23F7
Molecular Weight468.46 g/mol
Exact Mass468.17
IUPAC Name2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(CCc2cc(F)c(CCc3ccc(C(F)(F)F)cc3)c(F)c2)c(F)c1
InChIInChI=1S/C26H23F7/c1-2-3-17-12-22(27)21(23(28)13-17)11-7-18-14-24(29)20(25(30)15-18)10-6-16-4-8-19(9-5-16)26(31,32)33/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3
InChIKeyDIASYMWFHHPDPV-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758638
4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
CID 173305642
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 90179530
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
2-[2-(4-butoxy-3-fluorophenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758552
2-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethynyl]-6-fluoronaphthalene
CID 139857816
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
2-[2-(3,5-difluoro-4-propoxyphenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758585
1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
CID 123667290

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
The IUPAC name of 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene (CID 139758592) is 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene.
What is the SMILES notation for 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
The canonical SMILES for 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene is CCCc1cc(F)c(CCc2cc(F)c(CCc3ccc(C(F)(F)F)cc3)c(F)c2)c(F)c1.
What is the InChIKey of 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
The InChIKey is DIASYMWFHHPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F7/c1-2-3-17-12-22(27)21(23(28)13-17)11-7-18-14-24(29)20(25(30)15-18)10-6-16-4-8-19(9-5-16)26(31,32)33/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene?
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene has a molecular weight of 468.46 g/mol, XLogP of 7.78, 8 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-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene is sourced from PubChem (CID 139758592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).