1,2,5-trifluoro-3-(methoxymethoxy)benzene

C8H7F3O2 — CID 67531702

IUPAC1,2,5-trifluoro-3-(methoxymethoxy)benzene
SMILESCOCOc1cc(F)cc(F)c1F
InChIInChI=1S/C8H7F3O2/c1-12-4-13-7-3-5(9)2-6(10)8(7)11/h2-3H,4H2,1H3
InChIKeyDSIJSQJSJYEQSF-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.09
Rot. Bonds3

About 1,2,5-trifluoro-3-(methoxymethoxy)benzene

1,2,5-trifluoro-3-(methoxymethoxy)benzene (PubChem CID 67531702) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 1,2,5-trifluoro-3-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1,2,5-trifluoro-3-(methoxymethoxy)benzene
PubChem CID67531702
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name1,2,5-trifluoro-3-(methoxymethoxy)benzene
SMILESCOCOc1cc(F)cc(F)c1F
InChIInChI=1S/C8H7F3O2/c1-12-4-13-7-3-5(9)2-6(10)8(7)11/h2-3H,4H2,1H3
InChIKeyDSIJSQJSJYEQSF-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744
2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
CID 22031808
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
2,4-difluoro-6-(2-methoxyethoxy)aniline
CID 115507275
1-(2,3,5-trifluorophenoxy)ethanol
CID 143423169
3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol
CID 167070063
2-chloro-1,5-difluoro-3-(4-methoxybutoxy)benzene
CID 59339533
2,4-difluoro-5-(methoxymethoxy)benzonitrile
CID 142496952

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trifluoro-3-(methoxymethoxy)benzene?
The IUPAC name of 1,2,5-trifluoro-3-(methoxymethoxy)benzene (CID 67531702) is 1,2,5-trifluoro-3-(methoxymethoxy)benzene.
What is the SMILES notation for 1,2,5-trifluoro-3-(methoxymethoxy)benzene?
The canonical SMILES for 1,2,5-trifluoro-3-(methoxymethoxy)benzene is COCOc1cc(F)cc(F)c1F.
What is the InChIKey of 1,2,5-trifluoro-3-(methoxymethoxy)benzene?
The InChIKey is DSIJSQJSJYEQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-12-4-13-7-3-5(9)2-6(10)8(7)11/h2-3H,4H2,1H3.
What are the key properties of 1,2,5-trifluoro-3-(methoxymethoxy)benzene?
1,2,5-trifluoro-3-(methoxymethoxy)benzene has a molecular weight of 192.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trifluoro-3-(methoxymethoxy)benzene is sourced from PubChem (CID 67531702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).