4-(1,2,2,3,3,3-hexafluoropropoxy)aniline

C9H7F6NO — CID 174979795

IUPAC4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
SMILESNc1ccc(OC(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H7F6NO/c10-7(8(11,12)9(13,14)15)17-6-3-1-5(16)2-4-6/h1-4,7H,16H2
InChIKeyIGAMSGFXNTUYEI-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.14
Rot. Bonds3

About 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline

4-(1,2,2,3,3,3-hexafluoropropoxy)aniline (PubChem CID 174979795) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline.

Molecular Properties

Compound Name4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
PubChem CID174979795
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
SMILESNc1ccc(OC(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C9H7F6NO/c10-7(8(11,12)9(13,14)15)17-6-3-1-5(16)2-4-6/h1-4,7H,16H2
InChIKeyIGAMSGFXNTUYEI-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
The IUPAC name of 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline (CID 174979795) is 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline.
What is the SMILES notation for 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
The canonical SMILES for 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline is Nc1ccc(OC(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
The InChIKey is IGAMSGFXNTUYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-7(8(11,12)9(13,14)15)17-6-3-1-5(16)2-4-6/h1-4,7H,16H2.
What are the key properties of 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
4-(1,2,2,3,3,3-hexafluoropropoxy)aniline has a molecular weight of 259.15 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2,3,3,3-hexafluoropropoxy)aniline is sourced from PubChem (CID 174979795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).