2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline

C9H8F5N — CID 107644218

IUPAC2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F5N/c10-2-1-3-15-9-7(13)5(11)4-6(12)8(9)14/h4,15H,1-3H2
InChIKeyRSNFPVMUJJATBL-UHFFFAOYSA-N
MW225.16 g/mol
LogP3.01
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline

2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline (PubChem CID 107644218) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
PubChem CID107644218
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F5N/c10-2-1-3-15-9-7(13)5(11)4-6(12)8(9)14/h4,15H,1-3H2
InChIKeyRSNFPVMUJJATBL-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline (CID 107644218) is 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline is FCCCNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
The InChIKey is RSNFPVMUJJATBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c10-2-1-3-15-9-7(13)5(11)4-6(12)8(9)14/h4,15H,1-3H2.
What are the key properties of 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline?
2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline has a molecular weight of 225.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 107644218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).