2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol

C16H15F5N2O2 — CID 22261630

IUPAC2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
SMILESNC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccnc(F)c1
InChIInChI=1S/C16H15F5N2O2/c17-13-8-10(4-5-23-13)14(24)12(22)7-9-2-1-3-11(6-9)25-16(20,21)15(18)19/h1-6,8,12,14-15,24H,7,22H2
InChIKeyAYQXJLKQSNPRFI-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.06
Rot. Bonds7

About 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol

2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol (PubChem CID 22261630) has the molecular formula C16H15F5N2O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
PubChem CID22261630
Molecular FormulaC16H15F5N2O2
Molecular Weight362.30 g/mol
Exact Mass362.11
IUPAC Name2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
SMILESNC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccnc(F)c1
InChIInChI=1S/C16H15F5N2O2/c17-13-8-10(4-5-23-13)14(24)12(22)7-9-2-1-3-11(6-9)25-16(20,21)15(18)19/h1-6,8,12,14-15,24H,7,22H2
InChIKeyAYQXJLKQSNPRFI-UHFFFAOYSA-N
XLogP3.06
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol with MolForge

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Related Compounds

ethyl 3-(2-fluoro-4-pyridinyl)-3-oxo-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]propanoate
CID 22261762
methyl 4-[2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]benzoate
CID 22261714
N-[1-(2-fluoro-4-pyridinyl)-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]-8,9-dihydro-7H-benzo[7]annulene-4-carboxamide
CID 11955402
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
2-amino-1-(2-fluorophenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 22261969
2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol
CID 20743450
[1-hydroxy-1-(4-pyridin-3-yloxyphenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]carbamic acid
CID 22261831
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
methyl 4-[1-hydroxy-3-oxo-3-phenylmethoxy-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]propyl]benzoate
CID 86593292
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
CID 11955347

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol (CID 22261630) is 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol is NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccnc(F)c1.
What is the InChIKey of 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol?
The InChIKey is AYQXJLKQSNPRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N2O2/c17-13-8-10(4-5-23-13)14(24)12(22)7-9-2-1-3-11(6-9)25-16(20,21)15(18)19/h1-6,8,12,14-15,24H,7,22H2.
What are the key properties of 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol?
2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol has a molecular weight of 362.30 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 22261630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).