2-bromo-3-(2-fluoroethoxy)benzaldehyde

C9H8BrFO2 — CID 170993640

IUPAC2-bromo-3-(2-fluoroethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCF)c1Br
InChIInChI=1S/C9H8BrFO2/c10-9-7(6-12)2-1-3-8(9)13-5-4-11/h1-3,6H,4-5H2
InChIKeyLJQSTXNEOGWCFN-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.61
Rot. Bonds4

About 2-bromo-3-(2-fluoroethoxy)benzaldehyde

2-bromo-3-(2-fluoroethoxy)benzaldehyde (PubChem CID 170993640) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-bromo-3-(2-fluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name2-bromo-3-(2-fluoroethoxy)benzaldehyde
PubChem CID170993640
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name2-bromo-3-(2-fluoroethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCF)c1Br
InChIInChI=1S/C9H8BrFO2/c10-9-7(6-12)2-1-3-8(9)13-5-4-11/h1-3,6H,4-5H2
InChIKeyLJQSTXNEOGWCFN-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.61
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

2,3-bis(2-fluoroethoxy)benzaldehyde
CID 15058684
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
methyl 2-(2-bromo-3-formylphenoxy)acetate
CID 59515358
tert-butyl N-[2-(2-bromo-3-formylphenoxy)ethyl]carbamate
CID 156905544
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
1,2,3-tris(2-fluoroethoxy)benzene
CID 15058725
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
CID 58518892
2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene
CID 118268661

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-fluoroethoxy)benzaldehyde?
The IUPAC name of 2-bromo-3-(2-fluoroethoxy)benzaldehyde (CID 170993640) is 2-bromo-3-(2-fluoroethoxy)benzaldehyde.
What is the SMILES notation for 2-bromo-3-(2-fluoroethoxy)benzaldehyde?
The canonical SMILES for 2-bromo-3-(2-fluoroethoxy)benzaldehyde is O=Cc1cccc(OCCF)c1Br.
What is the InChIKey of 2-bromo-3-(2-fluoroethoxy)benzaldehyde?
The InChIKey is LJQSTXNEOGWCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c10-9-7(6-12)2-1-3-8(9)13-5-4-11/h1-3,6H,4-5H2.
What are the key properties of 2-bromo-3-(2-fluoroethoxy)benzaldehyde?
2-bromo-3-(2-fluoroethoxy)benzaldehyde has a molecular weight of 247.06 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-fluoroethoxy)benzaldehyde is sourced from PubChem (CID 170993640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).