2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene

C9H10F2O — CID 118830282

IUPAC2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene
SMILESCc1ccc(OCF)c(F)c1C
InChIInChI=1S/C9H10F2O/c1-6-3-4-8(12-5-10)9(11)7(6)2/h3-4H,5H2,1-2H3
InChIKeyHOBOELORFRVKJO-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.75
Rot. Bonds2

About 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene

2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene (PubChem CID 118830282) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene.

Molecular Properties

Compound Name2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene
PubChem CID118830282
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene
SMILESCc1ccc(OCF)c(F)c1C
InChIInChI=1S/C9H10F2O/c1-6-3-4-8(12-5-10)9(11)7(6)2/h3-4H,5H2,1-2H3
InChIKeyHOBOELORFRVKJO-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(fluoromethoxy)-1,3,4-trimethylbenzene
CID 89340105
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene
CID 145173786
1-bromo-3-fluoro-2-methyl-4-propoxybenzene
CID 146811600
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
1-(chloromethyl)-2-fluoro-3,4-dimethylbenzene
CID 130837762
2-butoxy-1,8-difluoro-7-methylphenanthrene
CID 20821885

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene?
The IUPAC name of 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene (CID 118830282) is 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene.
What is the SMILES notation for 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene?
The canonical SMILES for 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene is Cc1ccc(OCF)c(F)c1C.
What is the InChIKey of 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene?
The InChIKey is HOBOELORFRVKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-6-3-4-8(12-5-10)9(11)7(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene?
2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene has a molecular weight of 172.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene is sourced from PubChem (CID 118830282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).