2-(bromomethyl)-4-fluorobenzaldehyde

C8H6BrFO — CID 98041715

IUPAC2-(bromomethyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)cc1CBr
InChIInChI=1S/C8H6BrFO/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3,5H,4H2
InChIKeyMSYBZGZQLGYSKZ-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.53
Rot. Bonds2

About 2-(bromomethyl)-4-fluorobenzaldehyde

2-(bromomethyl)-4-fluorobenzaldehyde (PubChem CID 98041715) has the molecular formula C8H6BrFO and a molecular weight of 217.04 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(bromomethyl)-4-fluorobenzaldehyde
PubChem CID98041715
Molecular FormulaC8H6BrFO
Molecular Weight217.04 g/mol
Exact Mass215.96
IUPAC Name2-(bromomethyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)cc1CBr
InChIInChI=1S/C8H6BrFO/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3,5H,4H2
InChIKeyMSYBZGZQLGYSKZ-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
CID 117276677
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735
2-(bromomethyl)-4-phenylbenzaldehyde
CID 89003019
[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]urea
CID 168533953
2-[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591297
2-(cyclopropylmethoxymethyl)-4-fluorobenzaldehyde
CID 91658184
4-fluoro-2-methylbenzaldehyde
CID 2783217
CID 171836112
CID 171836112
2-(bromomethyl)-4-fluoro-1-iodobenzene
CID 75412008
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
methyl 3-(bromomethyl)-4-formylbenzoate
CID 88552817

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-fluorobenzaldehyde?
The IUPAC name of 2-(bromomethyl)-4-fluorobenzaldehyde (CID 98041715) is 2-(bromomethyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 2-(bromomethyl)-4-fluorobenzaldehyde?
The canonical SMILES for 2-(bromomethyl)-4-fluorobenzaldehyde is O=Cc1ccc(F)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-fluorobenzaldehyde?
The InChIKey is MSYBZGZQLGYSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3,5H,4H2.
What are the key properties of 2-(bromomethyl)-4-fluorobenzaldehyde?
2-(bromomethyl)-4-fluorobenzaldehyde has a molecular weight of 217.04 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 98041715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).