1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol

C12H14F5NO2 — CID 106292239

IUPAC1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
SMILESOC(CNCC(F)(F)C(F)F)COc1ccc(F)cc1
InChIInChI=1S/C12H14F5NO2/c13-8-1-3-10(4-2-8)20-6-9(19)5-18-7-12(16,17)11(14)15/h1-4,9,11,18-19H,5-7H2
InChIKeyOQAQFWQQBTTXQC-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.06
Rot. Bonds8

About 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol

1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol (PubChem CID 106292239) has the molecular formula C12H14F5NO2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
PubChem CID106292239
Molecular FormulaC12H14F5NO2
Molecular Weight299.24 g/mol
Exact Mass299.09
IUPAC Name1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
SMILESOC(CNCC(F)(F)C(F)F)COc1ccc(F)cc1
InChIInChI=1S/C12H14F5NO2/c13-8-1-3-10(4-2-8)20-6-9(19)5-18-7-12(16,17)11(14)15/h1-4,9,11,18-19H,5-7H2
InChIKeyOQAQFWQQBTTXQC-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291336
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol (CID 106292239) is 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol is OC(CNCC(F)(F)C(F)F)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The InChIKey is OQAQFWQQBTTXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO2/c13-8-1-3-10(4-2-8)20-6-9(19)5-18-7-12(16,17)11(14)15/h1-4,9,11,18-19H,5-7H2.
What are the key properties of 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol has a molecular weight of 299.24 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol is sourced from PubChem (CID 106292239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).