1-(difluoromethoxy)-4-fluoro-2-methylbenzene

C8H7F3O — CID 46311597

IUPAC1-(difluoromethoxy)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1OC(F)F
InChIInChI=1S/C8H7F3O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,8H,1H3
InChIKeyHXWRNLIADDNLCU-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.74
Rot. Bonds2

About 1-(difluoromethoxy)-4-fluoro-2-methylbenzene

1-(difluoromethoxy)-4-fluoro-2-methylbenzene (PubChem CID 46311597) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-fluoro-2-methylbenzene
PubChem CID46311597
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name1-(difluoromethoxy)-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1OC(F)F
InChIInChI=1S/C8H7F3O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,8H,1H3
InChIKeyHXWRNLIADDNLCU-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene
CID 130358860
2-bromo-1-[4-(difluoromethoxy)-3-methylphenyl]propan-1-one
CID 135743391
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-fluoro-2-methylbenzene?
The IUPAC name of 1-(difluoromethoxy)-4-fluoro-2-methylbenzene (CID 46311597) is 1-(difluoromethoxy)-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4-fluoro-2-methylbenzene?
The InChIKey is HXWRNLIADDNLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,8H,1H3.
What are the key properties of 1-(difluoromethoxy)-4-fluoro-2-methylbenzene?
1-(difluoromethoxy)-4-fluoro-2-methylbenzene has a molecular weight of 176.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-fluoro-2-methylbenzene is sourced from PubChem (CID 46311597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).