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

C30H23F7O — CID 118858770

IUPAC2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CCc4ccc(OC(F)(F)F)c(F)c4)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C30H23F7O/c1-2-3-18-5-13-23(25(31)16-18)20-8-10-21(11-9-20)24-14-12-22(28(33)29(24)34)7-4-19-6-15-27(26(32)17-19)38-30(35,36)37/h5-6,8-17H,2-4,7H2,1H3
InChIKeyRRDFTKHZGIBUTN-UHFFFAOYSA-N
MW532.50 g/mol
LogP9.21
Rot. Bonds8

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

2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene (PubChem CID 118858770) has the molecular formula C30H23F7O and a molecular weight of 532.50 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
PubChem CID118858770
Molecular FormulaC30H23F7O
Molecular Weight532.50 g/mol
Exact Mass532.16
IUPAC Name2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(CCc4ccc(OC(F)(F)F)c(F)c4)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C30H23F7O/c1-2-3-18-5-13-23(25(31)16-18)20-8-10-21(11-9-20)24-14-12-22(28(33)29(24)34)7-4-19-6-15-27(26(32)17-19)38-30(35,36)37/h5-6,8-17H,2-4,7H2,1H3
InChIKeyRRDFTKHZGIBUTN-UHFFFAOYSA-N
XLogP9.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.50
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
2,3-difluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858776
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873522
2,3-difluoro-1-[2-[3-fluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenyl]ethyl]-4-(4-propylphenyl)benzene
CID 118858532
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 118603340
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
6-[2-[2,3-difluoro-4-(4-propylphenyl)phenyl]ethyl]-1,2,3-trifluoronaphthalene
CID 118858657
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
CID 58140637

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene?
The IUPAC name of 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene (CID 118858770) is 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene?
The canonical SMILES for 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(CCc4ccc(OC(F)(F)F)c(F)c4)c(F)c3F)cc2)c(F)c1.
What is the InChIKey of 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene?
The InChIKey is RRDFTKHZGIBUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F7O/c1-2-3-18-5-13-23(25(31)16-18)20-8-10-21(11-9-20)24-14-12-22(28(33)29(24)34)7-4-19-6-15-27(26(32)17-19)38-30(35,36)37/h5-6,8-17H,2-4,7H2,1H3.
What are the key properties of 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene?
2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene has a molecular weight of 532.50 g/mol, XLogP of 9.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene is sourced from PubChem (CID 118858770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).