5-amino-2-(difluoromethoxy)benzaldehyde

C8H7F2NO2 — CID 143711565

IUPAC5-amino-2-(difluoromethoxy)benzaldehyde
SMILESNc1ccc(OC(F)F)c(C=O)c1
InChIInChI=1S/C8H7F2NO2/c9-8(10)13-7-2-1-6(11)3-5(7)4-12/h1-4,8H,11H2
InChIKeyGDAWWSHORXQOFO-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.68
Rot. Bonds3

About 5-amino-2-(difluoromethoxy)benzaldehyde

5-amino-2-(difluoromethoxy)benzaldehyde (PubChem CID 143711565) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 5-amino-2-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name5-amino-2-(difluoromethoxy)benzaldehyde
PubChem CID143711565
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name5-amino-2-(difluoromethoxy)benzaldehyde
SMILESNc1ccc(OC(F)F)c(C=O)c1
InChIInChI=1S/C8H7F2NO2/c9-8(10)13-7-2-1-6(11)3-5(7)4-12/h1-4,8H,11H2
InChIKeyGDAWWSHORXQOFO-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.68
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

4-(difluoromethoxy)-3-formylbenzoic acid
CID 126827729
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
4-(difluoromethoxy)-3-(methylsulfonylmethyl)aniline;ethane
CID 145425755
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate
CID 154072008
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
CID 131167977
(3S)-3-amino-3-[5-amino-2-(difluoromethoxy)phenyl]propanoic acid
CID 97035652
1-[5-amino-2-(difluoromethoxy)phenyl]-3-chloropropan-1-one
CID 118824570
5-amino-2-bromobenzaldehyde
CID 82397542
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethoxy)benzaldehyde?
The IUPAC name of 5-amino-2-(difluoromethoxy)benzaldehyde (CID 143711565) is 5-amino-2-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 5-amino-2-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 5-amino-2-(difluoromethoxy)benzaldehyde is Nc1ccc(OC(F)F)c(C=O)c1.
What is the InChIKey of 5-amino-2-(difluoromethoxy)benzaldehyde?
The InChIKey is GDAWWSHORXQOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-8(10)13-7-2-1-6(11)3-5(7)4-12/h1-4,8H,11H2.
What are the key properties of 5-amino-2-(difluoromethoxy)benzaldehyde?
5-amino-2-(difluoromethoxy)benzaldehyde has a molecular weight of 187.15 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 143711565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).