tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate

C16H22FNO4 — CID 134954043

IUPACtert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC(O)CO[C@@H]1c1ccccc1F
InChIInChI=1S/C16H22FNO4/c1-16(2,3)22-15(20)18-13-8-10(19)9-21-14(13)11-6-4-5-7-12(11)17/h4-7,10,13-14,19H,8-9H2,1-3H3,(H,18,20)/t10?,13-,14+/m0/s1
InChIKeyRBOSXWWDOJZKGY-INPHSSGZSA-N
MW311.35 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate

tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate (PubChem CID 134954043) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate
PubChem CID134954043
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Nametert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC(O)CO[C@@H]1c1ccccc1F
InChIInChI=1S/C16H22FNO4/c1-16(2,3)22-15(20)18-13-8-10(19)9-21-14(13)11-6-4-5-7-12(11)17/h4-7,10,13-14,19H,8-9H2,1-3H3,(H,18,20)/t10?,13-,14+/m0/s1
InChIKeyRBOSXWWDOJZKGY-INPHSSGZSA-N
XLogP2.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate (CID 134954043) is tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC(O)CO[C@@H]1c1ccccc1F.
What is the InChIKey of tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate?
The InChIKey is RBOSXWWDOJZKGY-INPHSSGZSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-16(2,3)22-15(20)18-13-8-10(19)9-21-14(13)11-6-4-5-7-12(11)17/h4-7,10,13-14,19H,8-9H2,1-3H3,(H,18,20)/t10?,13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate?
tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate has a molecular weight of 311.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-2-(2-fluorophenyl)-5-hydroxyoxan-3-yl]carbamate is sourced from PubChem (CID 134954043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).