1,3-difluoro-5-phenoxybenzene

C12H8F2O — CID 13455928

IUPAC1,3-difluoro-5-phenoxybenzene
SMILESFc1cc(F)cc(Oc2ccccc2)c1
InChIInChI=1S/C12H8F2O/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h1-8H
InChIKeyFXGLOOHSKGPODA-UHFFFAOYSA-N
MW206.19 g/mol
LogP3.76
Rot. Bonds2

About 1,3-difluoro-5-phenoxybenzene

1,3-difluoro-5-phenoxybenzene (PubChem CID 13455928) has the molecular formula C12H8F2O and a molecular weight of 206.19 g/mol. Its IUPAC name is 1,3-difluoro-5-phenoxybenzene.

Molecular Properties

Compound Name1,3-difluoro-5-phenoxybenzene
PubChem CID13455928
Molecular FormulaC12H8F2O
Molecular Weight206.19 g/mol
Exact Mass206.05
IUPAC Name1,3-difluoro-5-phenoxybenzene
SMILESFc1cc(F)cc(Oc2ccccc2)c1
InChIInChI=1S/C12H8F2O/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h1-8H
InChIKeyFXGLOOHSKGPODA-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
CID 160906545
potassium;hydride;phenoxybenzene
CID 173391576
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
[3-fluoro-5-(4-iodophenoxy)phenyl]-phenyliodanium
CID 162496494
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
1,3-difluoro-5-phenoxybenzene;methanamine;1,4-thiazepan-3-one
CID 178178288

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-phenoxybenzene?
The IUPAC name of 1,3-difluoro-5-phenoxybenzene (CID 13455928) is 1,3-difluoro-5-phenoxybenzene.
What is the SMILES notation for 1,3-difluoro-5-phenoxybenzene?
The canonical SMILES for 1,3-difluoro-5-phenoxybenzene is Fc1cc(F)cc(Oc2ccccc2)c1.
What is the InChIKey of 1,3-difluoro-5-phenoxybenzene?
The InChIKey is FXGLOOHSKGPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h1-8H.
What are the key properties of 1,3-difluoro-5-phenoxybenzene?
1,3-difluoro-5-phenoxybenzene has a molecular weight of 206.19 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-phenoxybenzene is sourced from PubChem (CID 13455928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).