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

C9H8F5NO — CID 54161023

IUPACN-(1,1,2,2,3-pentafluoropropoxy)aniline
SMILESFCC(F)(F)C(F)(F)ONc1ccccc1
InChIInChI=1S/C9H8F5NO/c10-6-8(11,12)9(13,14)16-15-7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyOOKGOVNGJAIERH-UHFFFAOYSA-N
MW241.16 g/mol
LogP3.23
Rot. Bonds5

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

N-(1,1,2,2,3-pentafluoropropoxy)aniline (PubChem CID 54161023) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is N-(1,1,2,2,3-pentafluoropropoxy)aniline.

Molecular Properties

Compound NameN-(1,1,2,2,3-pentafluoropropoxy)aniline
PubChem CID54161023
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC NameN-(1,1,2,2,3-pentafluoropropoxy)aniline
SMILESFCC(F)(F)C(F)(F)ONc1ccccc1
InChIInChI=1S/C9H8F5NO/c10-6-8(11,12)9(13,14)16-15-7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyOOKGOVNGJAIERH-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3-pentafluoropropoxy)aniline?
The IUPAC name of N-(1,1,2,2,3-pentafluoropropoxy)aniline (CID 54161023) is N-(1,1,2,2,3-pentafluoropropoxy)aniline.
What is the SMILES notation for N-(1,1,2,2,3-pentafluoropropoxy)aniline?
The canonical SMILES for N-(1,1,2,2,3-pentafluoropropoxy)aniline is FCC(F)(F)C(F)(F)ONc1ccccc1.
What is the InChIKey of N-(1,1,2,2,3-pentafluoropropoxy)aniline?
The InChIKey is OOKGOVNGJAIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c10-6-8(11,12)9(13,14)16-15-7-4-2-1-3-5-7/h1-5,15H,6H2.
What are the key properties of N-(1,1,2,2,3-pentafluoropropoxy)aniline?
N-(1,1,2,2,3-pentafluoropropoxy)aniline has a molecular weight of 241.16 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3-pentafluoropropoxy)aniline is sourced from PubChem (CID 54161023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).