2-(2,2-difluoroethoxy)-5-methylaniline

C9H11F2NO — CID 19622888

IUPAC2-(2,2-difluoroethoxy)-5-methylaniline
SMILESCc1ccc(OCC(F)F)c(N)c1
InChIInChI=1S/C9H11F2NO/c1-6-2-3-8(7(12)4-6)13-5-9(10)11/h2-4,9H,5,12H2,1H3
InChIKeySWGSPWSEXUKXSO-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.22
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-5-methylaniline

2-(2,2-difluoroethoxy)-5-methylaniline (PubChem CID 19622888) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-methylaniline.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-methylaniline
PubChem CID19622888
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(2,2-difluoroethoxy)-5-methylaniline
SMILESCc1ccc(OCC(F)F)c(N)c1
InChIInChI=1S/C9H11F2NO/c1-6-2-3-8(7(12)4-6)13-5-9(10)11/h2-4,9H,5,12H2,1H3
InChIKeySWGSPWSEXUKXSO-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
3-[2-(2,2-difluoroethoxy)-5-methylphenyl]prop-2-yn-1-amine
CID 60921910
2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline
CID 82037132
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
2-(2-amino-4-methylphenoxy)-1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 46307322
2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline
CID 11014135
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-(2,2-difluoroethoxy)-1-ethynyl-4-methylbenzene
CID 155928767
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-methylaniline?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-methylaniline (CID 19622888) is 2-(2,2-difluoroethoxy)-5-methylaniline.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-methylaniline?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-methylaniline is Cc1ccc(OCC(F)F)c(N)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-methylaniline?
The InChIKey is SWGSPWSEXUKXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6-2-3-8(7(12)4-6)13-5-9(10)11/h2-4,9H,5,12H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-methylaniline?
2-(2,2-difluoroethoxy)-5-methylaniline has a molecular weight of 187.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-methylaniline is sourced from PubChem (CID 19622888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).