2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine

C10H14F3N3 — CID 115515530

IUPAC2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine
SMILESNc1ccnc(NCCCCC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)4-1-2-5-15-9-7-8(14)3-6-16-9/h3,6-7H,1-2,4-5H2,(H3,14,15,16)
InChIKeyKDSPMSQZIQJGOC-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.81
Rot. Bonds5

About 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine

2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine (PubChem CID 115515530) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine
PubChem CID115515530
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine
SMILESNc1ccnc(NCCCCC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)4-1-2-5-15-9-7-8(14)3-6-16-9/h3,6-7H,1-2,4-5H2,(H3,14,15,16)
InChIKeyKDSPMSQZIQJGOC-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.81
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

4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523207
2-N-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523201
2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
CID 115523020
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
2-bromo-1-N-(5,5,5-trifluoropentyl)benzene-1,4-diamine
CID 115515595
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
CID 113326794
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
5-amino-2-(5,5,5-trifluoropentylamino)benzoic acid
CID 115521856
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
4-[[(4-amino-2-pyridinyl)amino]methyl]phenol
CID 115029128

Frequently Asked Questions

What is the IUPAC name of 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine (CID 115515530) is 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine is Nc1ccnc(NCCCCC(F)(F)F)c1.
What is the InChIKey of 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine?
The InChIKey is KDSPMSQZIQJGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)4-1-2-5-15-9-7-8(14)3-6-16-9/h3,6-7H,1-2,4-5H2,(H3,14,15,16).
What are the key properties of 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine?
2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine has a molecular weight of 233.24 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine is sourced from PubChem (CID 115515530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).