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

C9H7F6NO — CID 88633601

IUPACN-(1,1,2,3,3,3-hexafluoropropoxy)aniline
SMILESFC(C(F)(F)F)C(F)(F)ONc1ccccc1
InChIInChI=1S/C9H7F6NO/c10-7(8(11,12)13)9(14,15)17-16-6-4-2-1-3-5-6/h1-5,7,16H
InChIKeyHZUFEQPPMXLMBX-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.52
Rot. Bonds4

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

N-(1,1,2,3,3,3-hexafluoropropoxy)aniline (PubChem CID 88633601) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is N-(1,1,2,3,3,3-hexafluoropropoxy)aniline.

Molecular Properties

Compound NameN-(1,1,2,3,3,3-hexafluoropropoxy)aniline
PubChem CID88633601
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC NameN-(1,1,2,3,3,3-hexafluoropropoxy)aniline
SMILESFC(C(F)(F)F)C(F)(F)ONc1ccccc1
InChIInChI=1S/C9H7F6NO/c10-7(8(11,12)13)9(14,15)17-16-6-4-2-1-3-5-6/h1-5,7,16H
InChIKeyHZUFEQPPMXLMBX-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.52
H-Bond Donors ≤ 51
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-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The IUPAC name of N-(1,1,2,3,3,3-hexafluoropropoxy)aniline (CID 88633601) is N-(1,1,2,3,3,3-hexafluoropropoxy)aniline.
What is the SMILES notation for N-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The canonical SMILES for N-(1,1,2,3,3,3-hexafluoropropoxy)aniline is FC(C(F)(F)F)C(F)(F)ONc1ccccc1.
What is the InChIKey of N-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
The InChIKey is HZUFEQPPMXLMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-7(8(11,12)13)9(14,15)17-16-6-4-2-1-3-5-6/h1-5,7,16H.
What are the key properties of N-(1,1,2,3,3,3-hexafluoropropoxy)aniline?
N-(1,1,2,3,3,3-hexafluoropropoxy)aniline has a molecular weight of 259.15 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,3,3,3-hexafluoropropoxy)aniline is sourced from PubChem (CID 88633601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).