1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene

C14H8F6O2 — CID 130313798

IUPAC1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
SMILESFc1ccc(OCC(F)(F)Oc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C14H8F6O2/c15-8-1-3-12(10(17)5-8)21-7-14(19,20)22-13-4-2-9(16)6-11(13)18/h1-6H,7H2
InChIKeyJXNWBBBFCKCQCL-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.29
Rot. Bonds5

About 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene

1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene (PubChem CID 130313798) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
PubChem CID130313798
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
SMILESFc1ccc(OCC(F)(F)Oc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C14H8F6O2/c15-8-1-3-12(10(17)5-8)21-7-14(19,20)22-13-4-2-9(16)6-11(13)18/h1-6H,7H2
InChIKeyJXNWBBBFCKCQCL-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
CID 89282398
CID 89282398
3-(2,4-difluorophenoxy)-2,2-dimethylpropanethioamide
CID 82085774
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
(2,4-difluorophenoxy)methyl-trifluoroboranuide
CID 63702065
2-(2,4-difluorophenoxy)-2-methylpropanenitrile
CID 57467467
2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
CID 144811143
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
CID 165461012

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene (CID 130313798) is 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene is Fc1ccc(OCC(F)(F)Oc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene?
The InChIKey is JXNWBBBFCKCQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c15-8-1-3-12(10(17)5-8)21-7-14(19,20)22-13-4-2-9(16)6-11(13)18/h1-6H,7H2.
What are the key properties of 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene?
1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene has a molecular weight of 322.20 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene is sourced from PubChem (CID 130313798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).