4-(difluoromethoxy)-2-nitroaniline

C7H6F2N2O3 — CID 15906034

IUPAC4-(difluoromethoxy)-2-nitroaniline
SMILESNc1ccc(OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O3/c8-7(9)14-4-1-2-5(10)6(3-4)11(12)13/h1-3,7H,10H2
InChIKeyFHRVMXFZUVYVPF-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.78
Rot. Bonds3

About 4-(difluoromethoxy)-2-nitroaniline

4-(difluoromethoxy)-2-nitroaniline (PubChem CID 15906034) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-nitroaniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-nitroaniline
PubChem CID15906034
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name4-(difluoromethoxy)-2-nitroaniline
SMILESNc1ccc(OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O3/c8-7(9)14-4-1-2-5(10)6(3-4)11(12)13/h1-3,7H,10H2
InChIKeyFHRVMXFZUVYVPF-UHFFFAOYSA-N
XLogP1.78
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-2-nitro-1-(trifluoromethyl)benzene
CID 71669510
4-(4-fluorophenoxy)-2-nitroaniline
CID 142716049
1-[4-(difluoromethoxy)-2-nitrophenyl]propan-2-one
CID 118813264
4-(5-bromo-4-methylpentan-2-yl)oxy-2-nitroaniline
CID 142122426
5-amino-2-(difluoromethoxy)-4-nitrobenzoic acid
CID 66765408
[5-(difluoromethoxy)-2-nitrophenyl]-pyridin-4-ylmethanone
CID 134627642
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
1-[4-amino-2-(difluoromethoxy)-5-nitrophenyl]ethanone
CID 171034005
4-[(4-fluorophenyl)methoxy]-2-nitroaniline
CID 69306114
3-bromo-1-[5-(difluoromethoxy)-2-nitrophenyl]propan-1-one
CID 134625020
3-(4-amino-3-nitrophenoxy)benzene-1,2-diamine
CID 69307177
4-(2,6-dimethylphenoxy)-2-nitroaniline
CID 58017485

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-nitroaniline?
The IUPAC name of 4-(difluoromethoxy)-2-nitroaniline (CID 15906034) is 4-(difluoromethoxy)-2-nitroaniline.
What is the SMILES notation for 4-(difluoromethoxy)-2-nitroaniline?
The canonical SMILES for 4-(difluoromethoxy)-2-nitroaniline is Nc1ccc(OC(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 4-(difluoromethoxy)-2-nitroaniline?
The InChIKey is FHRVMXFZUVYVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-7(9)14-4-1-2-5(10)6(3-4)11(12)13/h1-3,7H,10H2.
What are the key properties of 4-(difluoromethoxy)-2-nitroaniline?
4-(difluoromethoxy)-2-nitroaniline has a molecular weight of 204.13 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-nitroaniline is sourced from PubChem (CID 15906034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).