4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde

C10H5BrF6O — CID 134618140

IUPAC4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(CBr)cc1C(F)(F)F
InChIInChI=1S/C10H5BrF6O/c11-3-5-1-8(10(15,16)17)6(4-18)2-7(5)9(12,13)14/h1-2,4H,3H2
InChIKeyFOUOHLXEBSYDGS-UHFFFAOYSA-N
MW335.04 g/mol
LogP4.43
Rot. Bonds2

About 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde

4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde (PubChem CID 134618140) has the molecular formula C10H5BrF6O and a molecular weight of 335.04 g/mol. Its IUPAC name is 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde
PubChem CID134618140
Molecular FormulaC10H5BrF6O
Molecular Weight335.04 g/mol
Exact Mass333.94
IUPAC Name4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(CBr)cc1C(F)(F)F
InChIInChI=1S/C10H5BrF6O/c11-3-5-1-8(10(15,16)17)6(4-18)2-7(5)9(12,13)14/h1-2,4H,3H2
InChIKeyFOUOHLXEBSYDGS-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 54.43
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

2-(aminomethyl)-4,5-bis(trifluoromethyl)benzaldehyde
CID 118846578
5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268
4-formyl-2,5-bis(trifluoromethyl)benzamide
CID 119008889
1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene
CID 171015138
5-bromo-4-methyl-2-(trifluoromethyl)benzaldehyde
CID 90394938
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 134618135
4-formyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 134638617
4-(bromomethyl)-3-(trifluoromethyl)benzoic acid
CID 23145893
1-(bromomethyl)-2-iodo-4,5-bis(trifluoromethyl)benzene
CID 134638408
1-(bromomethyl)-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135743210
1-(bromomethyl)-2,4-difluoro-5-(trifluoromethyl)benzene
CID 122237187
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde (CID 134618140) is 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde is O=Cc1cc(C(F)(F)F)c(CBr)cc1C(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde?
The InChIKey is FOUOHLXEBSYDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF6O/c11-3-5-1-8(10(15,16)17)6(4-18)2-7(5)9(12,13)14/h1-2,4H,3H2.
What are the key properties of 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde?
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde has a molecular weight of 335.04 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 134618140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).