3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine

C8H5Cl3F4N2 — CID 106293428

IUPAC3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
SMILESFC(F)C(F)(F)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3F4N2/c9-3-1-4(10)6(17-5(3)11)16-2-8(14,15)7(12)13/h1,7H,2H2,(H,16,17)
InChIKeyWSRFXAYDDASAQA-UHFFFAOYSA-N
MW311.49 g/mol
LogP4.35
Rot. Bonds4

About 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine

3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine (PubChem CID 106293428) has the molecular formula C8H5Cl3F4N2 and a molecular weight of 311.49 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
PubChem CID106293428
Molecular FormulaC8H5Cl3F4N2
Molecular Weight311.49 g/mol
Exact Mass309.95
IUPAC Name3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
SMILESFC(F)C(F)(F)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3F4N2/c9-3-1-4(10)6(17-5(3)11)16-2-8(14,15)7(12)13/h1,7H,2H2,(H,16,17)
InChIKeyWSRFXAYDDASAQA-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 106289897
5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294327
6-chloro-2,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293438
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 102751738
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
CID 102751554
4,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106293429
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
CID 102751998
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
4-methoxy-2-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 114165086
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
CID 106296104
3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine (CID 106293428) is 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine is FC(F)C(F)(F)CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The InChIKey is WSRFXAYDDASAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3F4N2/c9-3-1-4(10)6(17-5(3)11)16-2-8(14,15)7(12)13/h1,7H,2H2,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine has a molecular weight of 311.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine is sourced from PubChem (CID 106293428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).