2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

C29H23F5O — CID 134236074

IUPAC2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C29H23F5O/c1-3-4-19-7-9-20(10-8-19)21-11-14-24(25(30)15-21)22-16-26(31)28(27(32)17-22)29(33,34)35-23-12-5-18(2)6-13-23/h5-17H,3-4H2,1-2H3
InChIKeyQURMEEAZPCSNES-UHFFFAOYSA-N
MW482.49 g/mol
LogP8.83
Rot. Bonds7

About 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene (PubChem CID 134236074) has the molecular formula C29H23F5O and a molecular weight of 482.49 g/mol. Its IUPAC name is 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
PubChem CID134236074
Molecular FormulaC29H23F5O
Molecular Weight482.49 g/mol
Exact Mass482.17
IUPAC Name2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C29H23F5O/c1-3-4-19-7-9-20(10-8-19)21-11-14-24(25(30)15-21)22-16-26(31)28(27(32)17-22)29(33,34)35-23-12-5-18(2)6-13-23/h5-17H,3-4H2,1-2H3
InChIKeyQURMEEAZPCSNES-UHFFFAOYSA-N
XLogP8.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159111708
5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;bis(5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluorobenzene);2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;bis(2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene);bis(2-[difluoro-(4-methylphenoxy)methyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene)
CID 158768685
2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene
CID 59329977
5-(4-butylphenyl)-2-[difluoro-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenoxy]methyl]-1,3-difluorobenzene
CID 59328366
2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 175685533
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
5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
CID 160715054
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577
5-[4-[4-(4-butylphenyl)phenyl]-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 59329730
5-[4-(4-decylphenyl)-2-fluorophenyl]-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene
CID 59327951
5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;ethane
CID 144729739
2-[[4-[3,5-difluoro-4-(1,1,2-trifluoroethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 59328010

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene (CID 134236074) is 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C)cc4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
The InChIKey is QURMEEAZPCSNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F5O/c1-3-4-19-7-9-20(10-8-19)21-11-14-24(25(30)15-21)22-16-26(31)28(27(32)17-22)29(33,34)35-23-12-5-18(2)6-13-23/h5-17H,3-4H2,1-2H3.
What are the key properties of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene has a molecular weight of 482.49 g/mol, XLogP of 8.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 134236074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).