1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene

C11H12F4O2 — CID 154985854

IUPAC1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
SMILESCOCCOc1cc(F)c(C)cc1C(F)(F)F
InChIInChI=1S/C11H12F4O2/c1-7-5-8(11(13,14)15)10(6-9(7)12)17-4-3-16-2/h5-6H,3-4H2,1-2H3
InChIKeyZNZRVILTHRDLES-UHFFFAOYSA-N
MW252.21 g/mol
LogP3.18
Rot. Bonds4

About 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene

1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene (PubChem CID 154985854) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
PubChem CID154985854
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
SMILESCOCCOc1cc(F)c(C)cc1C(F)(F)F
InChIInChI=1S/C11H12F4O2/c1-7-5-8(11(13,14)15)10(6-9(7)12)17-4-3-16-2/h5-6H,3-4H2,1-2H3
InChIKeyZNZRVILTHRDLES-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
CID 20785388
5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)pyridine
CID 121389108
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
CID 67585577
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone
CID 113427003
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzoic acid
CID 55206438
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene (CID 154985854) is 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene is COCCOc1cc(F)c(C)cc1C(F)(F)F.
What is the InChIKey of 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene?
The InChIKey is ZNZRVILTHRDLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-7-5-8(11(13,14)15)10(6-9(7)12)17-4-3-16-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene?
1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene has a molecular weight of 252.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 154985854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).