5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde

C8H5F4NO — CID 131075471

IUPAC5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde
SMILESNc1cc(C=O)c(F)cc1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-6-2-5(8(10,11)12)7(13)1-4(6)3-14/h1-3H,13H2
InChIKeyNVICMYLXQMQPBU-UHFFFAOYSA-N
MW207.13 g/mol
LogP2.24
Rot. Bonds1

About 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde

5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde (PubChem CID 131075471) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde
PubChem CID131075471
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC Name5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde
SMILESNc1cc(C=O)c(F)cc1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-6-2-5(8(10,11)12)7(13)1-4(6)3-14/h1-3H,13H2
InChIKeyNVICMYLXQMQPBU-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 52.24
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

4-amino-2-fluoro-5-(trifluoromethyl)benzaldehyde
CID 118846166
2-fluoro-5-nitro-4-(trifluoromethyl)benzaldehyde
CID 171015249
5-amino-2-fluoro-4-(trifluoromethyl)benzenethiol
CID 130934060
5-fluoro-4-formyl-2-(trifluoromethyl)benzoic acid
CID 164892479
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
4-amino-5-bromo-2-fluorobenzaldehyde
CID 141286032
2-amino-5-chloro-4-(trifluoromethyl)benzaldehyde
CID 119009707
4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde
CID 166904905
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760
2,3,6-trifluoro-5-(trifluoromethyl)benzaldehyde
CID 19995606
4,5-difluoro-2-(2-hydroxypropan-2-yl)benzaldehyde
CID 117289072
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde (CID 131075471) is 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde is Nc1cc(C=O)c(F)cc1C(F)(F)F.
What is the InChIKey of 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde?
The InChIKey is NVICMYLXQMQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-6-2-5(8(10,11)12)7(13)1-4(6)3-14/h1-3H,13H2.
What are the key properties of 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde?
5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde has a molecular weight of 207.13 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 131075471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).