tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate

C14H20FNO3 — CID 25266503

IUPACtert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H](F)c1ccccc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-11(9-17)12(15)10-7-5-4-6-8-10/h4-8,11-12,17H,9H2,1-3H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyOOAHGSKDQIGRCH-VXGBXAGGSA-N
MW269.32 g/mol
LogP2.58
Rot. Bonds4

About tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate

tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate (PubChem CID 25266503) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate
PubChem CID25266503
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nametert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)[C@H](F)c1ccccc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-11(9-17)12(15)10-7-5-4-6-8-10/h4-8,11-12,17H,9H2,1-3H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyOOAHGSKDQIGRCH-VXGBXAGGSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate (CID 25266503) is tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)[C@H](F)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate?
The InChIKey is OOAHGSKDQIGRCH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-11(9-17)12(15)10-7-5-4-6-8-10/h4-8,11-12,17H,9H2,1-3H3,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate has a molecular weight of 269.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-fluoro-3-hydroxy-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 25266503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).