2-bromo-5-(1-fluoroethoxy)benzaldehyde

C9H8BrFO2 — CID 177207164

IUPAC2-bromo-5-(1-fluoroethoxy)benzaldehyde
SMILESCC(F)Oc1ccc(Br)c(C=O)c1
InChIInChI=1S/C9H8BrFO2/c1-6(11)13-8-2-3-9(10)7(4-8)5-12/h2-6H,1H3
InChIKeyLMXFCBJHRFFALM-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.96
Rot. Bonds3

About 2-bromo-5-(1-fluoroethoxy)benzaldehyde

2-bromo-5-(1-fluoroethoxy)benzaldehyde (PubChem CID 177207164) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-bromo-5-(1-fluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-(1-fluoroethoxy)benzaldehyde
PubChem CID177207164
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name2-bromo-5-(1-fluoroethoxy)benzaldehyde
SMILESCC(F)Oc1ccc(Br)c(C=O)c1
InChIInChI=1S/C9H8BrFO2/c1-6(11)13-8-2-3-9(10)7(4-8)5-12/h2-6H,1H3
InChIKeyLMXFCBJHRFFALM-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.96
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

2-(4-bromo-3-formylphenoxy)propanamide
CID 81494404
ethyl (2R)-2-(4-bromo-3-formylphenoxy)propanoate
CID 976960
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
2-bromo-5-(2-bromopropanoyl)benzaldehyde
CID 130894877
2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403669
4-(4-bromo-3-formylphenoxy)butanoic acid
CID 19921916
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81494620
2-(1-bromo-2-oxopropyl)-5-(difluoromethoxy)benzaldehyde
CID 170837191
2-(methylamino)-5-propan-2-yloxybenzaldehyde
CID 121219252
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-fluoroethoxy)benzaldehyde?
The IUPAC name of 2-bromo-5-(1-fluoroethoxy)benzaldehyde (CID 177207164) is 2-bromo-5-(1-fluoroethoxy)benzaldehyde.
What is the SMILES notation for 2-bromo-5-(1-fluoroethoxy)benzaldehyde?
The canonical SMILES for 2-bromo-5-(1-fluoroethoxy)benzaldehyde is CC(F)Oc1ccc(Br)c(C=O)c1.
What is the InChIKey of 2-bromo-5-(1-fluoroethoxy)benzaldehyde?
The InChIKey is LMXFCBJHRFFALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-6(11)13-8-2-3-9(10)7(4-8)5-12/h2-6H,1H3.
What are the key properties of 2-bromo-5-(1-fluoroethoxy)benzaldehyde?
2-bromo-5-(1-fluoroethoxy)benzaldehyde has a molecular weight of 247.06 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-fluoroethoxy)benzaldehyde is sourced from PubChem (CID 177207164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).