4-formyl-2,5-bis(trifluoromethyl)benzamide

C10H5F6NO2 — CID 119008889

IUPAC4-formyl-2,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)c(C=O)cc1C(F)(F)F
InChIInChI=1S/C10H5F6NO2/c11-9(12,13)6-2-5(8(17)19)7(10(14,15)16)1-4(6)3-18/h1-3H,(H2,17,19)
InChIKeyDASZBTIOQBFZNA-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.64
Rot. Bonds2

About 4-formyl-2,5-bis(trifluoromethyl)benzamide

4-formyl-2,5-bis(trifluoromethyl)benzamide (PubChem CID 119008889) has the molecular formula C10H5F6NO2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-formyl-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-formyl-2,5-bis(trifluoromethyl)benzamide
PubChem CID119008889
Molecular FormulaC10H5F6NO2
Molecular Weight285.14 g/mol
Exact Mass285.02
IUPAC Name4-formyl-2,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)c(C=O)cc1C(F)(F)F
InChIInChI=1S/C10H5F6NO2/c11-9(12,13)6-2-5(8(17)19)7(10(14,15)16)1-4(6)3-18/h1-3H,(H2,17,19)
InChIKeyDASZBTIOQBFZNA-UHFFFAOYSA-N
XLogP2.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-4,5-bis(trifluoromethyl)benzoyl chloride
CID 118828279
ethyl 5-formyl-2,4-bis(trifluoromethyl)benzoate
CID 134638706
5-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
5-fluoro-4-formyl-2-(trifluoromethyl)benzoic acid
CID 164892479
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzaldehyde
CID 134618140
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
3-formyl-2,5-bis(trifluoromethyl)benzamide
CID 134638769
2-acetyl-5-formyl-4-(trifluoromethyl)benzonitrile
CID 171012150
4-formyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 134638617
2-(aminomethyl)-4,5-bis(trifluoromethyl)benzaldehyde
CID 118846578
5-bromo-2,4-bis(trifluoromethyl)benzaldehyde
CID 119025268
4-cyano-2-formyl-6-(trifluoromethyl)benzamide
CID 171012009

Frequently Asked Questions

What is the IUPAC name of 4-formyl-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of 4-formyl-2,5-bis(trifluoromethyl)benzamide (CID 119008889) is 4-formyl-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 4-formyl-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for 4-formyl-2,5-bis(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)c(C=O)cc1C(F)(F)F.
What is the InChIKey of 4-formyl-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is DASZBTIOQBFZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO2/c11-9(12,13)6-2-5(8(17)19)7(10(14,15)16)1-4(6)3-18/h1-3H,(H2,17,19).
What are the key properties of 4-formyl-2,5-bis(trifluoromethyl)benzamide?
4-formyl-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 285.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 119008889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).