N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

C14H16F4N4O — CID 75388370

IUPACN-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESCCn1ccnc1CNc1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H16F4N4O/c1-2-22-6-5-19-11(22)8-20-10-3-4-12(21-7-10)23-9-14(17,18)13(15)16/h3-7,13,20H,2,8-9H2,1H3
InChIKeyDBNOUGYQXKKUFA-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.19
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (PubChem CID 75388370) has the molecular formula C14H16F4N4O and a molecular weight of 332.30 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
PubChem CID75388370
Molecular FormulaC14H16F4N4O
Molecular Weight332.30 g/mol
Exact Mass332.13
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESCCn1ccnc1CNc1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H16F4N4O/c1-2-22-6-5-19-11(22)8-20-10-3-4-12(21-7-10)23-9-14(17,18)13(15)16/h3-7,13,20H,2,8-9H2,1H3
InChIKeyDBNOUGYQXKKUFA-UHFFFAOYSA-N
XLogP3.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (CID 75388370) is N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is CCn1ccnc1CNc1ccc(OCC(F)(F)C(F)F)nc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The InChIKey is DBNOUGYQXKKUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N4O/c1-2-22-6-5-19-11(22)8-20-10-3-4-12(21-7-10)23-9-14(17,18)13(15)16/h3-7,13,20H,2,8-9H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine has a molecular weight of 332.30 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is sourced from PubChem (CID 75388370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).