5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline

C10H9F6NO — CID 103591059

IUPAC5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline
SMILESCc1cc(OCC(F)(F)C(F)(F)F)c(N)cc1F
InChIInChI=1S/C10H9F6NO/c1-5-2-8(7(17)3-6(5)11)18-4-9(12,13)10(14,15)16/h2-3H,4,17H2,1H3
InChIKeyRJAWDPLXSKXHEQ-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.29
Rot. Bonds3

About 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline

5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline (PubChem CID 103591059) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline
PubChem CID103591059
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline
SMILESCc1cc(OCC(F)(F)C(F)(F)F)c(N)cc1F
InChIInChI=1S/C10H9F6NO/c1-5-2-8(7(17)3-6(5)11)18-4-9(12,13)10(14,15)16/h2-3H,4,17H2,1H3
InChIKeyRJAWDPLXSKXHEQ-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline?
The IUPAC name of 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline (CID 103591059) is 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline?
The canonical SMILES for 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline is Cc1cc(OCC(F)(F)C(F)(F)F)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline?
The InChIKey is RJAWDPLXSKXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-5-2-8(7(17)3-6(5)11)18-4-9(12,13)10(14,15)16/h2-3H,4,17H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline?
5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline has a molecular weight of 273.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline is sourced from PubChem (CID 103591059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).