N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine

C12H17F3N2O — CID 82791929

IUPACN-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine
SMILESCCNc1ccnc(COCCCC(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-2-16-10-4-6-17-11(8-10)9-18-7-3-5-12(13,14)15/h4,6,8H,2-3,5,7,9H2,1H3,(H,16,17)
InChIKeyQKDPIDVWMUVVIT-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.37
Rot. Bonds7

About N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine

N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine (PubChem CID 82791929) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine
PubChem CID82791929
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine
SMILESCCNc1ccnc(COCCCC(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-2-16-10-4-6-17-11(8-10)9-18-7-3-5-12(13,14)15/h4,6,8H,2-3,5,7,9H2,1H3,(H,16,17)
InChIKeyQKDPIDVWMUVVIT-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine?
The IUPAC name of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine (CID 82791929) is N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine is CCNc1ccnc(COCCCC(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine?
The InChIKey is QKDPIDVWMUVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-16-10-4-6-17-11(8-10)9-18-7-3-5-12(13,14)15/h4,6,8H,2-3,5,7,9H2,1H3,(H,16,17).
What are the key properties of N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine?
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine has a molecular weight of 262.27 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine is sourced from PubChem (CID 82791929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).