4-bromo-2-(2,2-difluoroethoxy)benzaldehyde

C9H7BrF2O2 — CID 82006187

IUPAC4-bromo-2-(2,2-difluoroethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1OCC(F)F
InChIInChI=1S/C9H7BrF2O2/c10-7-2-1-6(4-13)8(3-7)14-5-9(11)12/h1-4,9H,5H2
InChIKeyNVHOYFUTOPDPHK-UHFFFAOYSA-N
MW265.05 g/mol
LogP2.91
Rot. Bonds4

About 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde

4-bromo-2-(2,2-difluoroethoxy)benzaldehyde (PubChem CID 82006187) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2,2-difluoroethoxy)benzaldehyde
PubChem CID82006187
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Name4-bromo-2-(2,2-difluoroethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1OCC(F)F
InChIInChI=1S/C9H7BrF2O2/c10-7-2-1-6(4-13)8(3-7)14-5-9(11)12/h1-4,9H,5H2
InChIKeyNVHOYFUTOPDPHK-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
2-(2,2-difluoroethoxy)-4-(4-fluorophenyl)benzaldehyde
CID 171662713
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
5-bromo-2-(2,2-difluoroethoxy)benzoic acid
CID 60922935
4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde
CID 75406688
4-bromo-2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 58008259
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-(5-bromo-2-formylphenoxy)propanoic acid
CID 175669416
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-bromo-1-(2,2-difluoroethoxy)-2-ethynylbenzene
CID 162788176
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde (CID 82006187) is 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde is O=Cc1ccc(Br)cc1OCC(F)F.
What is the InChIKey of 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde?
The InChIKey is NVHOYFUTOPDPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c10-7-2-1-6(4-13)8(3-7)14-5-9(11)12/h1-4,9H,5H2.
What are the key properties of 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde?
4-bromo-2-(2,2-difluoroethoxy)benzaldehyde has a molecular weight of 265.05 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2-difluoroethoxy)benzaldehyde is sourced from PubChem (CID 82006187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).