1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene

C20H13F5O — CID 135223742

IUPAC1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene
SMILESCc1ccc(C(F)(F)Oc2ccc(-c3ccc(F)cc3)c(F)c2F)cc1
InChIInChI=1S/C20H13F5O/c1-12-2-6-14(7-3-12)20(24,25)26-17-11-10-16(18(22)19(17)23)13-4-8-15(21)9-5-13/h2-11H,1H3
InChIKeyGHDBMTNPGSARRX-UHFFFAOYSA-N
MW364.31 g/mol
LogP6.21
Rot. Bonds4

About 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene

1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene (PubChem CID 135223742) has the molecular formula C20H13F5O and a molecular weight of 364.31 g/mol. Its IUPAC name is 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene
PubChem CID135223742
Molecular FormulaC20H13F5O
Molecular Weight364.31 g/mol
Exact Mass364.09
IUPAC Name1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene
SMILESCc1ccc(C(F)(F)Oc2ccc(-c3ccc(F)cc3)c(F)c2F)cc1
InChIInChI=1S/C20H13F5O/c1-12-2-6-14(7-3-12)20(24,25)26-17-11-10-16(18(22)19(17)23)13-4-8-15(21)9-5-13/h2-11H,1H3
InChIKeyGHDBMTNPGSARRX-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.31
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 135223702
1-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 135223713
2-chloro-1-[difluoro-(4-methylphenyl)methoxy]-3-fluoro-4-(3,4,5-trifluorophenyl)benzene
CID 135223746
1-[difluoro-[2-fluoro-3-(trifluoromethyl)phenoxy]methyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 138636371
1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene
CID 135223795
1-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-2-fluoro-4-(4-methylphenyl)benzene;ethane
CID 145331542
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-[4-[(3,4-difluorophenoxy)-difluoromethyl]phenyl]-2,3-difluorobenzene
CID 135223725
1-[4-[[3,5-difluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 135223779
1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118601253
1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
CID 155471458
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 135223756

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene?
The IUPAC name of 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene (CID 135223742) is 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene?
The canonical SMILES for 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene is Cc1ccc(C(F)(F)Oc2ccc(-c3ccc(F)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene?
The InChIKey is GHDBMTNPGSARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5O/c1-12-2-6-14(7-3-12)20(24,25)26-17-11-10-16(18(22)19(17)23)13-4-8-15(21)9-5-13/h2-11H,1H3.
What are the key properties of 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene?
1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene has a molecular weight of 364.31 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene is sourced from PubChem (CID 135223742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).