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

C13H9F3O — CID 112788397

IUPAC1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H9F3O/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7H,8H2
InChIKeySXPQCNSKXKAYFU-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.68
Rot. Bonds3

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

1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene (PubChem CID 112788397) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
PubChem CID112788397
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H9F3O/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7H,8H2
InChIKeySXPQCNSKXKAYFU-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 155677507
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
3-[(3,4-difluorophenoxy)methyl]benzenecarbothioamide
CID 43554777
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene (CID 112788397) is 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene is Fc1cccc(COc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is SXPQCNSKXKAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7H,8H2.
What are the key properties of 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene?
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene has a molecular weight of 238.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 112788397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).