2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene

C20H11F7O — CID 20752077

IUPAC2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C20H11F7O/c1-10-2-4-13(15(22)6-10)11-7-17(24)19(18(25)8-11)20(26,27)28-12-3-5-14(21)16(23)9-12/h2-9H,1H3
InChIKeyRZLIPMSMEYOAQE-UHFFFAOYSA-N
MW400.29 g/mol
LogP6.49
Rot. Bonds4

About 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene

2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene (PubChem CID 20752077) has the molecular formula C20H11F7O and a molecular weight of 400.29 g/mol. Its IUPAC name is 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene.

Molecular Properties

Compound Name2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
PubChem CID20752077
Molecular FormulaC20H11F7O
Molecular Weight400.29 g/mol
Exact Mass400.07
IUPAC Name2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C20H11F7O/c1-10-2-4-13(15(22)6-10)11-7-17(24)19(18(25)8-11)20(26,27)28-12-3-5-14(21)16(23)9-12/h2-9H,1H3
InChIKeyRZLIPMSMEYOAQE-UHFFFAOYSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.29
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[[2,6-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]ethynyl thiohypoiodite
CID 145389469
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
CID 145497031
4-[4-[4-[[2,6-difluoro-4-(5-methyl-2-pyridinyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorophenyl]-2,6-difluorophenol
CID 143980048
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074
2-[difluoro-[3-fluoro-5-methyl-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 162612873
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
2-[[3,5-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20705646
2-[[3,4-difluoro-5-(fluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 134479170
4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorobenzaldehyde
CID 122500654
[2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]phosphane
CID 134374990
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene?
The IUPAC name of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene (CID 20752077) is 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene.
What is the SMILES notation for 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene?
The canonical SMILES for 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene is Cc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene?
The InChIKey is RZLIPMSMEYOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7O/c1-10-2-4-13(15(22)6-10)11-7-17(24)19(18(25)8-11)20(26,27)28-12-3-5-14(21)16(23)9-12/h2-9H,1H3.
What are the key properties of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene?
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene has a molecular weight of 400.29 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene is sourced from PubChem (CID 20752077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).