N-(2,2-diethoxyethyl)-2,3-difluoroaniline

C12H17F2NO2 — CID 81093077

IUPACN-(2,2-diethoxyethyl)-2,3-difluoroaniline
SMILESCCOC(CNc1cccc(F)c1F)OCC
InChIInChI=1S/C12H17F2NO2/c1-3-16-11(17-4-2)8-15-10-7-5-6-9(13)12(10)14/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyFUFPAEWKGUZLMQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.78
Rot. Bonds7

About N-(2,2-diethoxyethyl)-2,3-difluoroaniline

N-(2,2-diethoxyethyl)-2,3-difluoroaniline (PubChem CID 81093077) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2,3-difluoroaniline.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2,3-difluoroaniline
PubChem CID81093077
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC NameN-(2,2-diethoxyethyl)-2,3-difluoroaniline
SMILESCCOC(CNc1cccc(F)c1F)OCC
InChIInChI=1S/C12H17F2NO2/c1-3-16-11(17-4-2)8-15-10-7-5-6-9(13)12(10)14/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyFUFPAEWKGUZLMQ-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-diethoxyethylamino)-6-fluorobenzonitrile
CID 81093722
N-(2,2-diethoxyethyl)-2-ethoxyaniline
CID 81093703
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline
CID 122228815
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
2,4-dichloro-N-(2,2-diethoxyethyl)aniline
CID 81093226
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
2,3-difluoro-N-methylaniline
CID 50998712
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
N-(cyclopropylmethyl)-2,3-difluoroaniline
CID 61076617
2,3-difluoro-N-pentan-2-ylaniline
CID 61074639
N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline
CID 70246305

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2,3-difluoroaniline?
The IUPAC name of N-(2,2-diethoxyethyl)-2,3-difluoroaniline (CID 81093077) is N-(2,2-diethoxyethyl)-2,3-difluoroaniline.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2,3-difluoroaniline?
The canonical SMILES for N-(2,2-diethoxyethyl)-2,3-difluoroaniline is CCOC(CNc1cccc(F)c1F)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2,3-difluoroaniline?
The InChIKey is FUFPAEWKGUZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-3-16-11(17-4-2)8-15-10-7-5-6-9(13)12(10)14/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-2,3-difluoroaniline?
N-(2,2-diethoxyethyl)-2,3-difluoroaniline has a molecular weight of 245.27 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2,3-difluoroaniline is sourced from PubChem (CID 81093077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).