tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate

C13H18FNO2 — CID 25030686

IUPACtert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CF)c1ccccc1
InChIInChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyURSFJYUZIMUYRH-LLVKDONJSA-N
MW239.29 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate

tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate (PubChem CID 25030686) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate
PubChem CID25030686
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CF)c1ccccc1
InChIInChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyURSFJYUZIMUYRH-LLVKDONJSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate (CID 25030686) is tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CF)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate?
The InChIKey is URSFJYUZIMUYRH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate?
tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate has a molecular weight of 239.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-fluoro-1-phenylethyl]carbamate is sourced from PubChem (CID 25030686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).