2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene

C28H21F5O — CID 118474676

IUPAC2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C28H21F5O/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-24(25(29)16-22)23-13-15-27(26(30)17-23)34-28(31,32)33/h4-17H,2-3H2,1H3
InChIKeyRWJJVTRUBNSNKJ-UHFFFAOYSA-N
MW468.47 g/mol
LogP8.82
Rot. Bonds6

About 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene

2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene (PubChem CID 118474676) has the molecular formula C28H21F5O and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
PubChem CID118474676
Molecular FormulaC28H21F5O
Molecular Weight468.47 g/mol
Exact Mass468.15
IUPAC Name2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C28H21F5O/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-24(25(29)16-22)23-13-15-27(26(30)17-23)34-28(31,32)33/h4-17H,2-3H2,1H3
InChIKeyRWJJVTRUBNSNKJ-UHFFFAOYSA-N
XLogP8.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.47
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 59329592
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
2-fluoro-4-[4-(4-hexylphenyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436396
5-(4-butylphenyl)-2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-1,3-difluorobenzene
CID 59328758
4-[difluoro-[2-fluoro-4-(4-pentylphenyl)phenyl]methoxy]-2-fluoro-1-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 59329770
2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 118858770
1-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 59328660
2-[difluoro-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]benzene
CID 59328486
1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850801
2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 59328031
2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-difluoro-5-[2-fluoro-4-(4-hexylphenyl)phenyl]benzene
CID 59329538
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene (CID 118474676) is 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1.
What is the InChIKey of 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene?
The InChIKey is RWJJVTRUBNSNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F5O/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-24(25(29)16-22)23-13-15-27(26(30)17-23)34-28(31,32)33/h4-17H,2-3H2,1H3.
What are the key properties of 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene?
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene has a molecular weight of 468.47 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 118474676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).