1,1-dimethoxyethane;2-fluorobenzaldehyde

C11H15FO3 — CID 88679380

IUPAC1,1-dimethoxyethane;2-fluorobenzaldehyde
SMILESCOC(C)OC.O=Cc1ccccc1F
InChIInChI=1S/C7H5FO.C4H10O2/c8-7-4-2-1-3-6(7)5-9;1-4(5-2)6-3/h1-5H;4H,1-3H3
InChIKeyMCFNNTNCVWEBHD-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.26
Rot. Bonds3

About 1,1-dimethoxyethane;2-fluorobenzaldehyde

1,1-dimethoxyethane;2-fluorobenzaldehyde (PubChem CID 88679380) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1,1-dimethoxyethane;2-fluorobenzaldehyde.

Molecular Properties

Compound Name1,1-dimethoxyethane;2-fluorobenzaldehyde
PubChem CID88679380
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name1,1-dimethoxyethane;2-fluorobenzaldehyde
SMILESCOC(C)OC.O=Cc1ccccc1F
InChIInChI=1S/C7H5FO.C4H10O2/c8-7-4-2-1-3-6(7)5-9;1-4(5-2)6-3/h1-5H;4H,1-3H3
InChIKeyMCFNNTNCVWEBHD-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-fluorophenyl)-2-methoxyacetaldehyde
CID 173342966
3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
CID 112611562
1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde
CID 88766542
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
2-fluorobenzaldehyde;N,N',N'-trimethylethane-1,2-diamine
CID 157438694
1,4-diphenylbenzene;2-fluorobenzaldehyde;2-phenylethylbenzene
CID 175542681
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
2-(1,2-dimethoxyethyl)benzaldehyde
CID 117275927

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;2-fluorobenzaldehyde?
The IUPAC name of 1,1-dimethoxyethane;2-fluorobenzaldehyde (CID 88679380) is 1,1-dimethoxyethane;2-fluorobenzaldehyde.
What is the SMILES notation for 1,1-dimethoxyethane;2-fluorobenzaldehyde?
The canonical SMILES for 1,1-dimethoxyethane;2-fluorobenzaldehyde is COC(C)OC.O=Cc1ccccc1F.
What is the InChIKey of 1,1-dimethoxyethane;2-fluorobenzaldehyde?
The InChIKey is MCFNNTNCVWEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO.C4H10O2/c8-7-4-2-1-3-6(7)5-9;1-4(5-2)6-3/h1-5H;4H,1-3H3.
What are the key properties of 1,1-dimethoxyethane;2-fluorobenzaldehyde?
1,1-dimethoxyethane;2-fluorobenzaldehyde has a molecular weight of 214.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;2-fluorobenzaldehyde is sourced from PubChem (CID 88679380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).