N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline

C11H11F6NO — CID 141002088

IUPACN-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline
SMILESCCN(OC(F)(F)C(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F6NO/c1-2-18(8-6-4-3-5-7-8)19-11(16,17)9(12)10(13,14)15/h3-7,9H,2H2,1H3
InChIKeyCUWCJWUENHAWGO-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.94
Rot. Bonds5

About N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline

N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline (PubChem CID 141002088) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline.

Molecular Properties

Compound NameN-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline
PubChem CID141002088
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC NameN-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline
SMILESCCN(OC(F)(F)C(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F6NO/c1-2-18(8-6-4-3-5-7-8)19-11(16,17)9(12)10(13,14)15/h3-7,9H,2H2,1H3
InChIKeyCUWCJWUENHAWGO-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The IUPAC name of N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline (CID 141002088) is N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline.
What is the SMILES notation for N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The canonical SMILES for N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline is CCN(OC(F)(F)C(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The InChIKey is CUWCJWUENHAWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c1-2-18(8-6-4-3-5-7-8)19-11(16,17)9(12)10(13,14)15/h3-7,9H,2H2,1H3.
What are the key properties of N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline has a molecular weight of 287.20 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline is sourced from PubChem (CID 141002088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).