1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene

C20H14F4O2 — CID 174920306

IUPAC1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
SMILESFc1cccc(OCc2ccccc2COc2cccc(F)c2F)c1F
InChIInChI=1S/C20H14F4O2/c21-15-7-3-9-17(19(15)23)25-11-13-5-1-2-6-14(13)12-26-18-10-4-8-16(22)20(18)24/h1-10H,11-12H2
InChIKeyDODCLICBFPBWMV-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.40
Rot. Bonds6

About 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene

1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene (PubChem CID 174920306) has the molecular formula C20H14F4O2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
PubChem CID174920306
Molecular FormulaC20H14F4O2
Molecular Weight362.32 g/mol
Exact Mass362.09
IUPAC Name1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
SMILESFc1cccc(OCc2ccccc2COc2cccc(F)c2F)c1F
InChIInChI=1S/C20H14F4O2/c21-15-7-3-9-17(19(15)23)25-11-13-5-1-2-6-14(13)12-26-18-10-4-8-16(22)20(18)24/h1-10H,11-12H2
InChIKeyDODCLICBFPBWMV-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
1-[2-[(2,3-difluorophenoxy)methyl]phenyl]piperazine
CID 45483506
4-[2-[(2,3-difluorophenoxy)methyl]phenyl]but-3-yn-1-ol
CID 63037486
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
CID 175374084
CID 175374084
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene?
The IUPAC name of 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene (CID 174920306) is 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene is Fc1cccc(OCc2ccccc2COc2cccc(F)c2F)c1F.
What is the InChIKey of 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene?
The InChIKey is DODCLICBFPBWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4O2/c21-15-7-3-9-17(19(15)23)25-11-13-5-1-2-6-14(13)12-26-18-10-4-8-16(22)20(18)24/h1-10H,11-12H2.
What are the key properties of 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene?
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene has a molecular weight of 362.32 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 174920306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).