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

C9H10F2O2 — CID 57232585

IUPAC2,4-bis(fluoromethoxy)-1-methylbenzene
SMILESCc1ccc(OCF)cc1OCF
InChIInChI=1S/C9H10F2O2/c1-7-2-3-8(12-5-10)4-9(7)13-6-11/h2-4H,5-6H2,1H3
InChIKeyGJYKYJBNMQFLNZ-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.61
Rot. Bonds4

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

2,4-bis(fluoromethoxy)-1-methylbenzene (PubChem CID 57232585) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,4-bis(fluoromethoxy)-1-methylbenzene.

Molecular Properties

Compound Name2,4-bis(fluoromethoxy)-1-methylbenzene
PubChem CID57232585
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2,4-bis(fluoromethoxy)-1-methylbenzene
SMILESCc1ccc(OCF)cc1OCF
InChIInChI=1S/C9H10F2O2/c1-7-2-3-8(12-5-10)4-9(7)13-6-11/h2-4H,5-6H2,1H3
InChIKeyGJYKYJBNMQFLNZ-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

2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774
fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene
CID 145173786
2-bromo-1,4-bis(fluoromethoxy)benzene
CID 150344358
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
CID 142687563
1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
[5-(2-iodooxyethoxy)-2-methylphenyl] hypoiodite
CID 142869451
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1,2-dibromo-4-(fluoromethoxy)benzene
CID 141054271

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(fluoromethoxy)-1-methylbenzene?
The IUPAC name of 2,4-bis(fluoromethoxy)-1-methylbenzene (CID 57232585) is 2,4-bis(fluoromethoxy)-1-methylbenzene.
What is the SMILES notation for 2,4-bis(fluoromethoxy)-1-methylbenzene?
The canonical SMILES for 2,4-bis(fluoromethoxy)-1-methylbenzene is Cc1ccc(OCF)cc1OCF.
What is the InChIKey of 2,4-bis(fluoromethoxy)-1-methylbenzene?
The InChIKey is GJYKYJBNMQFLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-7-2-3-8(12-5-10)4-9(7)13-6-11/h2-4H,5-6H2,1H3.
What are the key properties of 2,4-bis(fluoromethoxy)-1-methylbenzene?
2,4-bis(fluoromethoxy)-1-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 2,4-bis(fluoromethoxy)-1-methylbenzene is sourced from PubChem (CID 57232585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).