2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene

C23H18F6O — CID 118360414

IUPAC2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(OC(F)(F)c3cc(F)c(C)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H18F6O/c1-3-4-14-5-7-15(8-6-14)16-9-20(26)22(21(27)10-16)30-23(28,29)17-11-18(24)13(2)19(25)12-17/h5-12H,3-4H2,1-2H3
InChIKeyZJJQLVVCYFONMR-UHFFFAOYSA-N
MW424.38 g/mol
LogP7.30
Rot. Bonds6

About 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene

2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene (PubChem CID 118360414) has the molecular formula C23H18F6O and a molecular weight of 424.38 g/mol. Its IUPAC name is 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene
PubChem CID118360414
Molecular FormulaC23H18F6O
Molecular Weight424.38 g/mol
Exact Mass424.13
IUPAC Name2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(OC(F)(F)c3cc(F)c(C)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H18F6O/c1-3-4-14-5-7-15(8-6-14)16-9-20(26)22(21(27)10-16)30-23(28,29)17-11-18(24)13(2)19(25)12-17/h5-12H,3-4H2,1-2H3
InChIKeyZJJQLVVCYFONMR-UHFFFAOYSA-N
XLogP7.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.38
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 90179440
2-[[3,5-difluoro-4-(3,3,3-trifluoroprop-1-enoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 123260273
2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 90293769
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
5-[difluoro-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222398
2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654125
5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene
CID 89475895
2-[3-chloro-4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-fluorophenyl]-5-[[2,6-difluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 89475892
[4-[[2,6-difluoro-4-(4-propylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
CID 130462382
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene?
The IUPAC name of 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene (CID 118360414) is 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene.
What is the SMILES notation for 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene?
The canonical SMILES for 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene is CCCc1ccc(-c2cc(F)c(OC(F)(F)c3cc(F)c(C)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene?
The InChIKey is ZJJQLVVCYFONMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6O/c1-3-4-14-5-7-15(8-6-14)16-9-20(26)22(21(27)10-16)30-23(28,29)17-11-18(24)13(2)19(25)12-17/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene?
2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene has a molecular weight of 424.38 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene is sourced from PubChem (CID 118360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).