6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C10H11F6N3 — CID 102719029

IUPAC6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H11F6N3/c11-9(12,13)2-1-3-18-8-5-6(10(14,15)16)4-7(17)19-8/h4-5H,1-3H2,(H3,17,18,19)
InChIKeyLSSTYCDYNLCTJU-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.44
Rot. Bonds4

About 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719029) has the molecular formula C10H11F6N3 and a molecular weight of 287.21 g/mol. Its IUPAC name is 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719029
Molecular FormulaC10H11F6N3
Molecular Weight287.21 g/mol
Exact Mass287.09
IUPAC Name6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H11F6N3/c11-9(12,13)2-1-3-18-8-5-6(10(14,15)16)4-7(17)19-8/h4-5H,1-3H2,(H3,17,18,19)
InChIKeyLSSTYCDYNLCTJU-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410
6-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718227
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717234
6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106043006
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 102718825
3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
CID 102718731
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737
6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 114117760

Frequently Asked Questions

What is the IUPAC name of 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719029) is 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(NCCCC(F)(F)F)n1.
What is the InChIKey of 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is LSSTYCDYNLCTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3/c11-9(12,13)2-1-3-18-8-5-6(10(14,15)16)4-7(17)19-8/h4-5H,1-3H2,(H3,17,18,19).
What are the key properties of 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 287.21 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).