1-(fluoromethoxy)-2,4-dimethylbenzene

C9H11FO — CID 58637499

IUPAC1-(fluoromethoxy)-2,4-dimethylbenzene
SMILESCc1ccc(OCF)c(C)c1
InChIInChI=1S/C9H11FO/c1-7-3-4-9(11-6-10)8(2)5-7/h3-5H,6H2,1-2H3
InChIKeyBUGOKOAVFHLASG-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.61
Rot. Bonds2

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

1-(fluoromethoxy)-2,4-dimethylbenzene (PubChem CID 58637499) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 1-(fluoromethoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(fluoromethoxy)-2,4-dimethylbenzene
PubChem CID58637499
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name1-(fluoromethoxy)-2,4-dimethylbenzene
SMILESCc1ccc(OCF)c(C)c1
InChIInChI=1S/C9H11FO/c1-7-3-4-9(11-6-10)8(2)5-7/h3-5H,6H2,1-2H3
InChIKeyBUGOKOAVFHLASG-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(fluoromethoxy)-2,4-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 145450835
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
2-(fluoromethoxy)-4-methylaniline
CID 123529275
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene
CID 145173786
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-(fluoromethoxy)-2,4-dimethylbenzene (CID 58637499) is 1-(fluoromethoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(fluoromethoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-(fluoromethoxy)-2,4-dimethylbenzene is Cc1ccc(OCF)c(C)c1.
What is the InChIKey of 1-(fluoromethoxy)-2,4-dimethylbenzene?
The InChIKey is BUGOKOAVFHLASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-7-3-4-9(11-6-10)8(2)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-2,4-dimethylbenzene?
1-(fluoromethoxy)-2,4-dimethylbenzene has a molecular weight of 154.18 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 58637499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).