tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate

C15H22FNO3 — CID 141256419

IUPACtert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate
SMILESCCOC[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-5-19-10-13(11-6-8-12(16)9-7-11)17-14(18)20-15(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyPVTVJDNALQMLID-CYBMUJFWSA-N
MW283.34 g/mol
LogP3.43
Rot. Bonds5

About tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate

tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate (PubChem CID 141256419) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate
PubChem CID141256419
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nametert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate
SMILESCCOC[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-5-19-10-13(11-6-8-12(16)9-7-11)17-14(18)20-15(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyPVTVJDNALQMLID-CYBMUJFWSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate (CID 141256419) is tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate is CCOC[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is PVTVJDNALQMLID-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-19-10-13(11-6-8-12(16)9-7-11)17-14(18)20-15(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate?
tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 283.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-ethoxy-1-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 141256419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).