N-(difluoromethyl)-4-methoxyaniline

C8H9F2NO — CID 118609343

IUPACN-(difluoromethyl)-4-methoxyaniline
SMILESCOc1ccc(NC(F)F)cc1
InChIInChI=1S/C8H9F2NO/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5,8,11H,1H3
InChIKeyUMDGQZGVNMKOCH-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.33
Rot. Bonds3

About N-(difluoromethyl)-4-methoxyaniline

N-(difluoromethyl)-4-methoxyaniline (PubChem CID 118609343) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-(difluoromethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(difluoromethyl)-4-methoxyaniline
PubChem CID118609343
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-(difluoromethyl)-4-methoxyaniline
SMILESCOc1ccc(NC(F)F)cc1
InChIInChI=1S/C8H9F2NO/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5,8,11H,1H3
InChIKeyUMDGQZGVNMKOCH-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(difluoromethyl)-4-methoxyaniline 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-(difluoromethyl)-4-methylaniline;ethane
CID 170790266
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
(4-methoxyanilino) thiohypofluorite
CID 175225532
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
4-(difluoromethylsulfanyl)-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43673145
(1R,2R)-N,N'-bis(4-methoxyphenyl)-1,2-bis[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 46223762
1-methoxy-4-[2-(4-methoxyanilino)hydrazinyl]benzene
CID 163682432
N,4-dimethoxyaniline
CID 23340556
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 68527948

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-4-methoxyaniline?
The IUPAC name of N-(difluoromethyl)-4-methoxyaniline (CID 118609343) is N-(difluoromethyl)-4-methoxyaniline.
What is the SMILES notation for N-(difluoromethyl)-4-methoxyaniline?
The canonical SMILES for N-(difluoromethyl)-4-methoxyaniline is COc1ccc(NC(F)F)cc1.
What is the InChIKey of N-(difluoromethyl)-4-methoxyaniline?
The InChIKey is UMDGQZGVNMKOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5,8,11H,1H3.
What are the key properties of N-(difluoromethyl)-4-methoxyaniline?
N-(difluoromethyl)-4-methoxyaniline has a molecular weight of 173.16 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-4-methoxyaniline is sourced from PubChem (CID 118609343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).