6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde

C10H7BrF2O2 — CID 171001474

IUPAC6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde
SMILESCC(=O)c1ccc(Br)c(C(F)F)c1C=O
InChIInChI=1S/C10H7BrF2O2/c1-5(15)6-2-3-8(11)9(10(12)13)7(6)4-14/h2-4,10H,1H3
InChIKeyPRMNAAAFPXJDJJ-UHFFFAOYSA-N
MW277.06 g/mol
LogP3.40
Rot. Bonds3

About 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde

6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde (PubChem CID 171001474) has the molecular formula C10H7BrF2O2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde.

Molecular Properties

Compound Name6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde
PubChem CID171001474
Molecular FormulaC10H7BrF2O2
Molecular Weight277.06 g/mol
Exact Mass275.96
IUPAC Name6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde
SMILESCC(=O)c1ccc(Br)c(C(F)F)c1C=O
InChIInChI=1S/C10H7BrF2O2/c1-5(15)6-2-3-8(11)9(10(12)13)7(6)4-14/h2-4,10H,1H3
InChIKeyPRMNAAAFPXJDJJ-UHFFFAOYSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 53.40
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

6-acetyl-3-bromo-2-methylbenzaldehyde
CID 171002269
6-acetyl-3-bromo-2-(difluoromethyl)benzonitrile
CID 171000737
3-acetyl-6-bromo-2-chlorobenzaldehyde
CID 171000505
3-acetyl-2-bromo-6-fluorobenzaldehyde
CID 171001660
1-[3-bromo-2-(difluoromethyl)-6-methylphenyl]ethanone
CID 131329067
1-[3-bromo-2-(difluoromethyl)-4-iodophenyl]ethanone
CID 171000142
2-acetyl-3,6-dibromobenzaldehyde
CID 171008507
1-[3,5-dibromo-2-(difluoromethyl)phenyl]ethanone
CID 171010149
1-[2-bromo-3-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171000631
3-acetyl-2-bromo-6-chlorobenzaldehyde
CID 171000511
1-[3-bromo-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 131572163
4-acetyl-3-bromobenzaldehyde
CID 170904389

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde?
The IUPAC name of 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde (CID 171001474) is 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde.
What is the SMILES notation for 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde?
The canonical SMILES for 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde is CC(=O)c1ccc(Br)c(C(F)F)c1C=O.
What is the InChIKey of 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde?
The InChIKey is PRMNAAAFPXJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2O2/c1-5(15)6-2-3-8(11)9(10(12)13)7(6)4-14/h2-4,10H,1H3.
What are the key properties of 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde?
6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde has a molecular weight of 277.06 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde is sourced from PubChem (CID 171001474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).