2-amino-3-(trifluoromethyl)benzaldehyde

C8H6F3NO — CID 86701174

IUPAC2-amino-3-(trifluoromethyl)benzaldehyde
SMILESNc1c(C=O)cccc1C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-13)7(6)12/h1-4H,12H2
InChIKeyUDZCBJNPRDYHQX-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.10
Rot. Bonds1

About 2-amino-3-(trifluoromethyl)benzaldehyde

2-amino-3-(trifluoromethyl)benzaldehyde (PubChem CID 86701174) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-amino-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-amino-3-(trifluoromethyl)benzaldehyde
PubChem CID86701174
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name2-amino-3-(trifluoromethyl)benzaldehyde
SMILESNc1c(C=O)cccc1C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-13)7(6)12/h1-4H,12H2
InChIKeyUDZCBJNPRDYHQX-UHFFFAOYSA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(trifluoromethoxy)benzaldehyde
CID 22649681
[4-(aminomethyl)phenyl]methanamine;2-hydroxy-3-(trifluoromethyl)benzaldehyde
CID 175602654
2-[[2-(trifluoromethyl)phenyl]methyl]benzaldehyde
CID 54199632
[2-amino-3-(trifluoromethyl)phenyl] hypochlorite
CID 91120927
3-amino-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131117139
3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)benzaldehyde
CID 175239552
2,3-bis(trifluoromethyl)benzaldehyde;methyl N-aminocarbamate
CID 162037487
2-nitro-6-(trifluoromethyl)aniline
CID 10703457
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 18537700
3-amino-2-fluorobenzaldehyde
CID 55282197
2-amino-1-[2-amino-3-(trifluoromethyl)phenyl]ethanone
CID 105471934

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-amino-3-(trifluoromethyl)benzaldehyde (CID 86701174) is 2-amino-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-amino-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-amino-3-(trifluoromethyl)benzaldehyde is Nc1c(C=O)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-3-(trifluoromethyl)benzaldehyde?
The InChIKey is UDZCBJNPRDYHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-13)7(6)12/h1-4H,12H2.
What are the key properties of 2-amino-3-(trifluoromethyl)benzaldehyde?
2-amino-3-(trifluoromethyl)benzaldehyde has a molecular weight of 189.14 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 86701174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).