2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene

C21H13F7O2 — CID 134222331

IUPAC2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(OCF)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C21H13F7O2/c1-11-2-4-12(5-3-11)13-6-15(23)19(16(24)7-13)21(27,28)30-14-8-17(25)20(29-10-22)18(26)9-14/h2-9H,10H2,1H3
InChIKeyMMARJFNIWLESOG-UHFFFAOYSA-N
MW430.32 g/mol
LogP6.65
Rot. Bonds6

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

2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene (PubChem CID 134222331) has the molecular formula C21H13F7O2 and a molecular weight of 430.32 g/mol. Its IUPAC name is 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
PubChem CID134222331
Molecular FormulaC21H13F7O2
Molecular Weight430.32 g/mol
Exact Mass430.08
IUPAC Name2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(OCF)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C21H13F7O2/c1-11-2-4-12(5-3-11)13-6-15(23)19(16(24)7-13)21(27,28)30-14-8-17(25)20(29-10-22)18(26)9-14/h2-9H,10H2,1H3
InChIKeyMMARJFNIWLESOG-UHFFFAOYSA-N
XLogP6.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.32
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3,4-difluoro-5-(fluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 134479170
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
CID 58738459
2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-methylpyridine
CID 90210819
2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 143238943
1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite
CID 161087301
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534
5-[[4-(4-but-3-enylphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222318
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
2-[4-[4-[[3,5-difluoro-4-(2-fluoroethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-methyloxane
CID 144978966
2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane
CID 143209927
5-[difluoro-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222398
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-methylpyridine
CID 58090397

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?
The IUPAC name of 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene (CID 134222331) is 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene.
What is the SMILES notation for 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?
The canonical SMILES for 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene is Cc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(OCF)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?
The InChIKey is MMARJFNIWLESOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F7O2/c1-11-2-4-12(5-3-11)13-6-15(23)19(16(24)7-13)21(27,28)30-14-8-17(25)20(29-10-22)18(26)9-14/h2-9H,10H2,1H3.
What are the key properties of 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?
2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene has a molecular weight of 430.32 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene is sourced from PubChem (CID 134222331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).