2,5-difluoro-N-(2-methoxyethyl)aniline

C9H11F2NO — CID 28574542

IUPAC2,5-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-13-5-4-12-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyKXLSKRYRNLTUQY-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.02
Rot. Bonds4

About 2,5-difluoro-N-(2-methoxyethyl)aniline

2,5-difluoro-N-(2-methoxyethyl)aniline (PubChem CID 28574542) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-N-(2-methoxyethyl)aniline
PubChem CID28574542
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2,5-difluoro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-13-5-4-12-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyKXLSKRYRNLTUQY-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206228
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
methyl 4-(2,5-difluoroanilino)butanoate
CID 43377845
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
2,5-difluoro-N-hexylaniline
CID 28877091
2-[[5-fluoro-2-(2-methoxyethylamino)anilino]methylidene]propanedinitrile
CID 168543825
ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate
CID 103232811
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-methoxyethyl)aniline?
The IUPAC name of 2,5-difluoro-N-(2-methoxyethyl)aniline (CID 28574542) is 2,5-difluoro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2,5-difluoro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2,5-difluoro-N-(2-methoxyethyl)aniline is COCCNc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(2-methoxyethyl)aniline?
The InChIKey is KXLSKRYRNLTUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-13-5-4-12-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2,5-difluoro-N-(2-methoxyethyl)aniline?
2,5-difluoro-N-(2-methoxyethyl)aniline has a molecular weight of 187.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 28574542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).