N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine

C10H12F4N2 — CID 79904604

IUPACN-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
SMILESCCCCN(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H12F4N2/c1-3-4-5-16(2)8-6(11)9(13)15-10(14)7(8)12/h3-5H2,1-2H3
InChIKeyMMFQXHLPEOXDHW-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.87
Rot. Bonds4

About N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine

N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine (PubChem CID 79904604) has the molecular formula C10H12F4N2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
PubChem CID79904604
Molecular FormulaC10H12F4N2
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC NameN-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine
SMILESCCCCN(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H12F4N2/c1-3-4-5-16(2)8-6(11)9(13)15-10(14)7(8)12/h3-5H2,1-2H3
InChIKeyMMFQXHLPEOXDHW-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine?
The IUPAC name of N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine (CID 79904604) is N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine.
What is the SMILES notation for N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine?
The canonical SMILES for N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine is CCCCN(C)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine?
The InChIKey is MMFQXHLPEOXDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2/c1-3-4-5-16(2)8-6(11)9(13)15-10(14)7(8)12/h3-5H2,1-2H3.
What are the key properties of N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine?
N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine has a molecular weight of 236.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3,5,6-tetrafluoro-N-methylpyridin-4-amine is sourced from PubChem (CID 79904604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).