3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline

C11H15F2NO3 — CID 55233867

IUPAC3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
SMILESCOC(CNc1cccc(OC(F)F)c1)OC
InChIInChI=1S/C11H15F2NO3/c1-15-10(16-2)7-14-8-4-3-5-9(6-8)17-11(12)13/h3-6,10-11,14H,7H2,1-2H3
InChIKeyIBFQFFBACQGIFJ-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.32
Rot. Bonds7

About 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline

3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline (PubChem CID 55233867) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
PubChem CID55233867
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
SMILESCOC(CNc1cccc(OC(F)F)c1)OC
InChIInChI=1S/C11H15F2NO3/c1-15-10(16-2)7-14-8-4-3-5-9(6-8)17-11(12)13/h3-6,10-11,14H,7H2,1-2H3
InChIKeyIBFQFFBACQGIFJ-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline 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

3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-[3-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81412020
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
3-(difluoromethoxy)-N-(4-methylsulfanylbutyl)aniline
CID 103087523
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline
CID 70246305

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline (CID 55233867) is 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline is COC(CNc1cccc(OC(F)F)c1)OC.
What is the InChIKey of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline?
The InChIKey is IBFQFFBACQGIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-15-10(16-2)7-14-8-4-3-5-9(6-8)17-11(12)13/h3-6,10-11,14H,7H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline?
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline has a molecular weight of 247.24 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline is sourced from PubChem (CID 55233867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).