3-bromo-4-(difluoromethoxy)benzaldehyde;ethane

C10H11BrF2O2 — CID 177032368

IUPAC3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
SMILESCC.O=Cc1ccc(OC(F)F)c(Br)c1
InChIInChI=1S/C8H5BrF2O2.C2H6/c9-6-3-5(4-12)1-2-7(6)13-8(10)11;1-2/h1-4,8H;1-2H3
InChIKeyZTCBDUCPURLCCV-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.89
Rot. Bonds3

About 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane

3-bromo-4-(difluoromethoxy)benzaldehyde;ethane (PubChem CID 177032368) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane.

Molecular Properties

Compound Name3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
PubChem CID177032368
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
SMILESCC.O=Cc1ccc(OC(F)F)c(Br)c1
InChIInChI=1S/C8H5BrF2O2.C2H6/c9-6-3-5(4-12)1-2-7(6)13-8(10)11;1-2/h1-4,8H;1-2H3
InChIKeyZTCBDUCPURLCCV-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.89
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

3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320783
3-bromo-4-(4-methylpentoxy)benzaldehyde
CID 83156913
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
3-bromo-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 122360990
(2-bromo-4-formylphenyl) butanoate
CID 87274525
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 19705430
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane?
The IUPAC name of 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane (CID 177032368) is 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane.
What is the SMILES notation for 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane?
The canonical SMILES for 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane is CC.O=Cc1ccc(OC(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane?
The InChIKey is ZTCBDUCPURLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O2.C2H6/c9-6-3-5(4-12)1-2-7(6)13-8(10)11;1-2/h1-4,8H;1-2H3.
What are the key properties of 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane?
3-bromo-4-(difluoromethoxy)benzaldehyde;ethane has a molecular weight of 281.10 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(difluoromethoxy)benzaldehyde;ethane is sourced from PubChem (CID 177032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).