(2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol

C19H14F3NO — CID 171266338

IUPAC(2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol
SMILESN[C@H](c1ccc2ccc3cccc4ccc1c2c34)[C@@H](O)C(F)(F)F
InChIInChI=1S/C19H14F3NO/c20-19(21,22)18(24)17(23)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-18,24H,23H2/t17-,18-/m1/s1
InChIKeyWXIBNIWQFBFHGI-QZTJIDSGSA-N
MW329.32 g/mol
LogP4.51
Rot. Bonds2

About (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol

(2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol (PubChem CID 171266338) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol
PubChem CID171266338
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name(2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol
SMILESN[C@H](c1ccc2ccc3cccc4ccc1c2c34)[C@@H](O)C(F)(F)F
InChIInChI=1S/C19H14F3NO/c20-19(21,22)18(24)17(23)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-18,24H,23H2/t17-,18-/m1/s1
InChIKeyWXIBNIWQFBFHGI-QZTJIDSGSA-N
XLogP4.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1-(2,4-difluorophenyl)-2-naphthalen-2-ylpropan-1-ol
CID 86287817
alpha-(2-Piperidyl)-3,6-bis(trifluoromethyl)-9-phenanthrenemethanol
CID 161869
2-Amino-1-(phenanthren-2-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 113857
2-Piperidinemethanol, alpha-(2-(trifluoromethyl)-9-phenanthrenyl)-, hydrochloride, hydrate, (2:2:1)
CID 217344
2-Phenyl-2-(pyren-1-ylmethylamino)ethanol;hydrochloride
CID 45264667
1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(cyclohexylamino)propan-1-ol
CID 90668829
1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-2-(heptan-4-ylamino)ethanol
CID 90668839
1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-2-(pentan-3-ylamino)ethanol
CID 90668850
1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-2-(propan-2-ylamino)ethanol
CID 90668895
1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-2-(cyclohexylamino)ethanol
CID 90668905
2-Amino-1-[3,6-bis(trifluoromethyl)phenanthren-9-yl]ethanol
CID 90669686
(3,6-Bis-trifluoromethyl-phenanthren-9-yl)-piperidin-2-yl-methanol
CID 9845408

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol?
The IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol (CID 171266338) is (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol is N[C@H](c1ccc2ccc3cccc4ccc1c2c34)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol?
The InChIKey is WXIBNIWQFBFHGI-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H14F3NO/c20-19(21,22)18(24)17(23)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-18,24H,23H2/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol?
(2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol has a molecular weight of 329.32 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1,1,1-trifluoro-3-pyren-1-ylpropan-2-ol is sourced from PubChem (CID 171266338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).