ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene

C12H19FO2 — CID 145070405

IUPACethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
SMILESCC.COCCOc1ccc(F)c(C)c1
InChIInChI=1S/C10H13FO2.C2H6/c1-8-7-9(3-4-10(8)11)13-6-5-12-2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3
InChIKeyJBNZKIMEIOVEAX-UHFFFAOYSA-N
MW214.28 g/mol
LogP3.19
Rot. Bonds4

About ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene

ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene (PubChem CID 145070405) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
PubChem CID145070405
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Nameethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
SMILESCC.COCCOc1ccc(F)c(C)c1
InChIInChI=1S/C10H13FO2.C2H6/c1-8-7-9(3-4-10(8)11)13-6-5-12-2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3
InChIKeyJBNZKIMEIOVEAX-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 53.19
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

2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-fluoro-5-(2-methoxyethoxy)-N-methylaniline
CID 67812902
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
2-(4-fluoro-3-methylphenoxy)acetyl chloride
CID 59775204
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene?
The IUPAC name of ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene (CID 145070405) is ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene.
What is the SMILES notation for ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene?
The canonical SMILES for ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene is CC.COCCOc1ccc(F)c(C)c1.
What is the InChIKey of ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene?
The InChIKey is JBNZKIMEIOVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2.C2H6/c1-8-7-9(3-4-10(8)11)13-6-5-12-2;1-2/h3-4,7H,5-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene?
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene has a molecular weight of 214.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene is sourced from PubChem (CID 145070405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).