methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde

C10H12F3NO — CID 143801247

IUPACmethanamine;5-methyl-2-(trifluoromethyl)benzaldehyde
SMILESCN.Cc1ccc(C(F)(F)F)c(C=O)c1
InChIInChI=1S/C9H7F3O.CH5N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13;1-2/h2-5H,1H3;2H2,1H3
InChIKeyJYUIWGZVNNCHEH-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.40
Rot. Bonds1

About methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde

methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde (PubChem CID 143801247) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Namemethanamine;5-methyl-2-(trifluoromethyl)benzaldehyde
PubChem CID143801247
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Namemethanamine;5-methyl-2-(trifluoromethyl)benzaldehyde
SMILESCN.Cc1ccc(C(F)(F)F)c(C=O)c1
InChIInChI=1S/C9H7F3O.CH5N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13;1-2/h2-5H,1H3;2H2,1H3
InChIKeyJYUIWGZVNNCHEH-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.40
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-(2-aminopropan-2-yl)-4-methylbenzaldehyde
CID 117277629
2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
CID 107289665
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
3-(2-formyl-4-methylphenyl)-3-methylbutanoic acid
CID 117314279
2,5-dimethylbenzaldehyde;ethane
CID 142106726
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
5-bromo-4-methyl-2-(trifluoromethyl)benzaldehyde
CID 90394938
2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649093
[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 69179187
2-methanimidoyl-4-methylbenzaldehyde
CID 22447756
2-[2-[[5-methyl-2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620898

Frequently Asked Questions

What is the IUPAC name of methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde (CID 143801247) is methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde is CN.Cc1ccc(C(F)(F)F)c(C=O)c1.
What is the InChIKey of methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde?
The InChIKey is JYUIWGZVNNCHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O.CH5N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13;1-2/h2-5H,1H3;2H2,1H3.
What are the key properties of methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde?
methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde has a molecular weight of 219.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;5-methyl-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 143801247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).