2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine

C12H14F4N2O2 — CID 133388031

IUPAC2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCCOCC2CCCO2)c1F
InChIInChI=1S/C12H14F4N2O2/c13-8-10(9(14)12(16)18-11(8)15)17-3-5-19-6-7-2-1-4-20-7/h7H,1-6H2,(H,17,18)
InChIKeyGJVSSCYTWARLGP-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.25
Rot. Bonds6

About 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine (PubChem CID 133388031) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine
PubChem CID133388031
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC Name2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCCOCC2CCCO2)c1F
InChIInChI=1S/C12H14F4N2O2/c13-8-10(9(14)12(16)18-11(8)15)17-3-5-19-6-7-2-1-4-20-7/h7H,1-6H2,(H,17,18)
InChIKeyGJVSSCYTWARLGP-UHFFFAOYSA-N
XLogP2.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315058
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315051
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
CID 97215805
6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133314966
N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
CID 155891671
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62573118
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
5-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 133314983

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine (CID 133388031) is 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine is Fc1nc(F)c(F)c(NCCOCC2CCCO2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine?
The InChIKey is GJVSSCYTWARLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c13-8-10(9(14)12(16)18-11(8)15)17-3-5-19-6-7-2-1-4-20-7/h7H,1-6H2,(H,17,18).
What are the key properties of 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine has a molecular weight of 294.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine is sourced from PubChem (CID 133388031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).