2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde

C8H5F4NO2 — CID 118991858

IUPAC2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde
SMILESNc1cc(OC(F)(F)F)cc(F)c1C=O
InChIInChI=1S/C8H5F4NO2/c9-6-1-4(15-8(10,11)12)2-7(13)5(6)3-14/h1-3H,13H2
InChIKeyNGXKFZFGXJYMJM-UHFFFAOYSA-N
MW223.12 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde

2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde (PubChem CID 118991858) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde
PubChem CID118991858
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde
SMILESNc1cc(OC(F)(F)F)cc(F)c1C=O
InChIInChI=1S/C8H5F4NO2/c9-6-1-4(15-8(10,11)12)2-7(13)5(6)3-14/h1-3H,13H2
InChIKeyNGXKFZFGXJYMJM-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-6-fluoro-4-(trifluoromethoxy)benzamide
CID 119008473
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
2-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)aniline
CID 119012318
2-amino-4-chloro-6-(trifluoromethoxy)benzaldehyde
CID 119004708
(3,5-difluoro-4-formylphenyl) trifluoromethanesulfonate
CID 122583120
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
CID 58007717
3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
3-amino-6-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287442
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde (CID 118991858) is 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde is Nc1cc(OC(F)(F)F)cc(F)c1C=O.
What is the InChIKey of 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde?
The InChIKey is NGXKFZFGXJYMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-6-1-4(15-8(10,11)12)2-7(13)5(6)3-14/h1-3H,13H2.
What are the key properties of 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde?
2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde has a molecular weight of 223.12 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-4-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 118991858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).