4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline

C12H16F3NO3 — CID 103486593

IUPAC4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline
SMILESCCOCC(C)Oc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C12H16F3NO3/c1-3-17-6-7(2)18-11-5-10(19-12(14)15)8(13)4-9(11)16/h4-5,7,12H,3,6,16H2,1-2H3
InChIKeySAQWNNLAOPLFJP-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.81
Rot. Bonds7

About 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline

4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline (PubChem CID 103486593) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline
PubChem CID103486593
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline
SMILESCCOCC(C)Oc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C12H16F3NO3/c1-3-17-6-7(2)18-11-5-10(19-12(14)15)8(13)4-9(11)16/h4-5,7,12H,3,6,16H2,1-2H3
InChIKeySAQWNNLAOPLFJP-UHFFFAOYSA-N
XLogP2.81
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline?
The IUPAC name of 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline (CID 103486593) is 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline.
What is the SMILES notation for 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline?
The canonical SMILES for 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline is CCOCC(C)Oc1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline?
The InChIKey is SAQWNNLAOPLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-3-17-6-7(2)18-11-5-10(19-12(14)15)8(13)4-9(11)16/h4-5,7,12H,3,6,16H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline?
4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline has a molecular weight of 279.26 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline is sourced from PubChem (CID 103486593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).