2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde

C11H12F2O5 — CID 54157105

IUPAC2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
SMILESCOCOc1c(F)cc(C=O)c(F)c1OCOC
InChIInChI=1S/C11H12F2O5/c1-15-5-17-10-8(12)3-7(4-14)9(13)11(10)18-6-16-2/h3-4H,5-6H2,1-2H3
InChIKeyOLVOVAABHZZUEB-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.74
Rot. Bonds7

About 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde

2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde (PubChem CID 54157105) has the molecular formula C11H12F2O5 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
PubChem CID54157105
Molecular FormulaC11H12F2O5
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
SMILESCOCOc1c(F)cc(C=O)c(F)c1OCOC
InChIInChI=1S/C11H12F2O5/c1-15-5-17-10-8(12)3-7(4-14)9(13)11(10)18-6-16-2/h3-4H,5-6H2,1-2H3
InChIKeyOLVOVAABHZZUEB-UHFFFAOYSA-N
XLogP1.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
CID 163233297
5-bromo-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
CID 164892738
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 15246820
methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
CID 58629751
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde?
The IUPAC name of 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde (CID 54157105) is 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde?
The canonical SMILES for 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde is COCOc1c(F)cc(C=O)c(F)c1OCOC.
What is the InChIKey of 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde?
The InChIKey is OLVOVAABHZZUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O5/c1-15-5-17-10-8(12)3-7(4-14)9(13)11(10)18-6-16-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde?
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde has a molecular weight of 262.21 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 54157105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).