N-(difluoromethoxy)-3-fluoroaniline

C7H6F3NO — CID 87348097

IUPACN-(difluoromethoxy)-3-fluoroaniline
SMILESFc1cccc(NOC(F)F)c1
InChIInChI=1S/C7H6F3NO/c8-5-2-1-3-6(4-5)11-12-7(9)10/h1-4,7,11H
InChIKeyHQDPCPKJPASOGZ-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.39
Rot. Bonds3

About N-(difluoromethoxy)-3-fluoroaniline

N-(difluoromethoxy)-3-fluoroaniline (PubChem CID 87348097) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is N-(difluoromethoxy)-3-fluoroaniline.

Molecular Properties

Compound NameN-(difluoromethoxy)-3-fluoroaniline
PubChem CID87348097
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC NameN-(difluoromethoxy)-3-fluoroaniline
SMILESFc1cccc(NOC(F)F)c1
InChIInChI=1S/C7H6F3NO/c8-5-2-1-3-6(4-5)11-12-7(9)10/h1-4,7,11H
InChIKeyHQDPCPKJPASOGZ-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(difluoromethoxy)-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
3-fluoro-N-methylaniline
CID 2759011
N-(dichloromethyl)-3-fluoroaniline
CID 174909266
3-fluoro-N-phenylaniline
CID 2774466
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
3-fluoro-N-methylaniline;molecular hydrogen
CID 143398655
N-(3-fluorophenoxy)aniline
CID 141068441
3-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
CID 63505215
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
N-(4-bromo-2-methoxyphenoxy)-3-fluoroaniline
CID 141196313

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethoxy)-3-fluoroaniline?
The IUPAC name of N-(difluoromethoxy)-3-fluoroaniline (CID 87348097) is N-(difluoromethoxy)-3-fluoroaniline.
What is the SMILES notation for N-(difluoromethoxy)-3-fluoroaniline?
The canonical SMILES for N-(difluoromethoxy)-3-fluoroaniline is Fc1cccc(NOC(F)F)c1.
What is the InChIKey of N-(difluoromethoxy)-3-fluoroaniline?
The InChIKey is HQDPCPKJPASOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-5-2-1-3-6(4-5)11-12-7(9)10/h1-4,7,11H.
What are the key properties of N-(difluoromethoxy)-3-fluoroaniline?
N-(difluoromethoxy)-3-fluoroaniline has a molecular weight of 177.12 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethoxy)-3-fluoroaniline is sourced from PubChem (CID 87348097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).