1-ethoxy-2,5-difluoro-4-methylbenzene

C9H10F2O — CID 58718803

IUPAC1-ethoxy-2,5-difluoro-4-methylbenzene
SMILESCCOc1cc(F)c(C)cc1F
InChIInChI=1S/C9H10F2O/c1-3-12-9-5-7(10)6(2)4-8(9)11/h4-5H,3H2,1-2H3
InChIKeyIXZRYFYUZNFUFR-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.67
Rot. Bonds2

About 1-ethoxy-2,5-difluoro-4-methylbenzene

1-ethoxy-2,5-difluoro-4-methylbenzene (PubChem CID 58718803) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1-ethoxy-2,5-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-ethoxy-2,5-difluoro-4-methylbenzene
PubChem CID58718803
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1-ethoxy-2,5-difluoro-4-methylbenzene
SMILESCCOc1cc(F)c(C)cc1F
InChIInChI=1S/C9H10F2O/c1-3-12-9-5-7(10)6(2)4-8(9)11/h4-5H,3H2,1-2H3
InChIKeyIXZRYFYUZNFUFR-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
5-ethoxy-2,4-difluorophenol
CID 125116194
1-ethoxy-2,4-difluoro-5-propan-2-ylbenzene
CID 71055564
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
2-ethoxy-4,5-difluorophenol
CID 131306358
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
4-ethoxy-5-fluoro-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 63592152

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,5-difluoro-4-methylbenzene?
The IUPAC name of 1-ethoxy-2,5-difluoro-4-methylbenzene (CID 58718803) is 1-ethoxy-2,5-difluoro-4-methylbenzene.
What is the SMILES notation for 1-ethoxy-2,5-difluoro-4-methylbenzene?
The canonical SMILES for 1-ethoxy-2,5-difluoro-4-methylbenzene is CCOc1cc(F)c(C)cc1F.
What is the InChIKey of 1-ethoxy-2,5-difluoro-4-methylbenzene?
The InChIKey is IXZRYFYUZNFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-3-12-9-5-7(10)6(2)4-8(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxy-2,5-difluoro-4-methylbenzene?
1-ethoxy-2,5-difluoro-4-methylbenzene has a molecular weight of 172.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,5-difluoro-4-methylbenzene is sourced from PubChem (CID 58718803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).