1,2-bis(fluoromethoxy)-4-methylbenzene

C9H10F2O2 — CID 57206944

IUPAC1,2-bis(fluoromethoxy)-4-methylbenzene
SMILESCc1ccc(OCF)c(OCF)c1
InChIInChI=1S/C9H10F2O2/c1-7-2-3-8(12-5-10)9(4-7)13-6-11/h2-4H,5-6H2,1H3
InChIKeyUNRJMOPNLFDKJX-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.61
Rot. Bonds4

About 1,2-bis(fluoromethoxy)-4-methylbenzene

1,2-bis(fluoromethoxy)-4-methylbenzene (PubChem CID 57206944) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 1,2-bis(fluoromethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1,2-bis(fluoromethoxy)-4-methylbenzene
PubChem CID57206944
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name1,2-bis(fluoromethoxy)-4-methylbenzene
SMILESCc1ccc(OCF)c(OCF)c1
InChIInChI=1S/C9H10F2O2/c1-7-2-3-8(12-5-10)9(4-7)13-6-11/h2-4H,5-6H2,1H3
InChIKeyUNRJMOPNLFDKJX-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
2-(fluoromethoxy)-4-methylaniline
CID 123529275
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 145450835
1-(fluoromethoxy)-3,7-dimethylnaphthalene
CID 59795441
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881
CID 67422978
CID 67422978
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637085
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene
CID 118830282
fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene
CID 145173786
4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile
CID 143291825

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(fluoromethoxy)-4-methylbenzene?
The IUPAC name of 1,2-bis(fluoromethoxy)-4-methylbenzene (CID 57206944) is 1,2-bis(fluoromethoxy)-4-methylbenzene.
What is the SMILES notation for 1,2-bis(fluoromethoxy)-4-methylbenzene?
The canonical SMILES for 1,2-bis(fluoromethoxy)-4-methylbenzene is Cc1ccc(OCF)c(OCF)c1.
What is the InChIKey of 1,2-bis(fluoromethoxy)-4-methylbenzene?
The InChIKey is UNRJMOPNLFDKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-7-2-3-8(12-5-10)9(4-7)13-6-11/h2-4H,5-6H2,1H3.
What are the key properties of 1,2-bis(fluoromethoxy)-4-methylbenzene?
1,2-bis(fluoromethoxy)-4-methylbenzene has a molecular weight of 188.17 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(fluoromethoxy)-4-methylbenzene is sourced from PubChem (CID 57206944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).