2-formyl-6-methyl-4-(trifluoromethyl)benzamide

C10H8F3NO2 — CID 171015102

IUPAC2-formyl-6-methyl-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C=O)c1C(N)=O
InChIInChI=1S/C10H8F3NO2/c1-5-2-7(10(11,12)13)3-6(4-15)8(5)9(14)16/h2-4H,1H3,(H2,14,16)
InChIKeyKEHFPVAUFFWEDP-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.93
Rot. Bonds2

About 2-formyl-6-methyl-4-(trifluoromethyl)benzamide

2-formyl-6-methyl-4-(trifluoromethyl)benzamide (PubChem CID 171015102) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-formyl-6-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-formyl-6-methyl-4-(trifluoromethyl)benzamide
PubChem CID171015102
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-formyl-6-methyl-4-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C=O)c1C(N)=O
InChIInChI=1S/C10H8F3NO2/c1-5-2-7(10(11,12)13)3-6(4-15)8(5)9(14)16/h2-4H,1H3,(H2,14,16)
InChIKeyKEHFPVAUFFWEDP-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.93
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-6-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171015011
2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
CID 162568295
3-formyl-2,5-bis(trifluoromethyl)benzamide
CID 134638769
2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 141180792
2-acetyl-3-bromo-5-(trifluoromethyl)benzaldehyde
CID 171004707
2,6-dimethyl-4-(trifluoromethyl)benzoic acid
CID 58167769
2-cyano-3-formyl-5-(trifluoromethyl)benzamide
CID 171011794
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
4-cyano-2-formyl-6-(trifluoromethyl)benzamide
CID 171012009
3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
4-chloro-2-methyl-6-(trifluoromethyl)benzamide
CID 171004117
[2-formyl-4-(trifluoromethyl)phenyl]boronic acid
CID 53216333

Frequently Asked Questions

What is the IUPAC name of 2-formyl-6-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-formyl-6-methyl-4-(trifluoromethyl)benzamide (CID 171015102) is 2-formyl-6-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-formyl-6-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-formyl-6-methyl-4-(trifluoromethyl)benzamide is Cc1cc(C(F)(F)F)cc(C=O)c1C(N)=O.
What is the InChIKey of 2-formyl-6-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is KEHFPVAUFFWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-5-2-7(10(11,12)13)3-6(4-15)8(5)9(14)16/h2-4H,1H3,(H2,14,16).
What are the key properties of 2-formyl-6-methyl-4-(trifluoromethyl)benzamide?
2-formyl-6-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 231.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-6-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 171015102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).