3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine

C11H13F6N3 — CID 106296104

IUPAC3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCC(F)(F)C(F)F)c(F)cc1F
InChIInChI=1S/C11H13F6N3/c1-2-3-18-8-6(12)4-7(13)9(20-8)19-5-11(16,17)10(14)15/h4,10H,2-3,5H2,1H3,(H2,18,19,20)
InChIKeyIRLQXIDJQLRLHX-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.49
Rot. Bonds7

About 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine

3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine (PubChem CID 106296104) has the molecular formula C11H13F6N3 and a molecular weight of 301.23 g/mol. Its IUPAC name is 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
PubChem CID106296104
Molecular FormulaC11H13F6N3
Molecular Weight301.23 g/mol
Exact Mass301.10
IUPAC Name3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCC(F)(F)C(F)F)c(F)cc1F
InChIInChI=1S/C11H13F6N3/c1-2-3-18-8-6(12)4-7(13)9(20-8)19-5-11(16,17)10(14)15/h4,10H,2-3,5H2,1H3,(H2,18,19,20)
InChIKeyIRLQXIDJQLRLHX-UHFFFAOYSA-N
XLogP3.49
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106150078
3,5-difluoro-2-N-propyl-6-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 106219622
6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296233
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106296188
2-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]acetamide
CID 114074035
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
6-(2-cyclopropylethoxy)-3,5-difluoro-N-propylpyridin-2-amine
CID 106207560
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293428
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
CID 106293889
2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258505

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine (CID 106296104) is 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine is CCCNc1nc(NCC(F)(F)C(F)F)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine?
The InChIKey is IRLQXIDJQLRLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6N3/c1-2-3-18-8-6(12)4-7(13)9(20-8)19-5-11(16,17)10(14)15/h4,10H,2-3,5H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine?
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine has a molecular weight of 301.23 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine is sourced from PubChem (CID 106296104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).