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

C14H20FNO3 — CID 141256418

IUPACtert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate
SMILESCOC[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)16-12(9-18-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyLHKISLSNRNZCBS-GFCCVEGCSA-N
MW269.32 g/mol
LogP3.04
Rot. Bonds4

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

tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate (PubChem CID 141256418) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate
PubChem CID141256418
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nametert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate
SMILESCOC[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)16-12(9-18-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyLHKISLSNRNZCBS-GFCCVEGCSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.04
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)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate (CID 141256418) is tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate is COC[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate?
The InChIKey is LHKISLSNRNZCBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)16-12(9-18-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate?
tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate has a molecular weight of 269.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]carbamate is sourced from PubChem (CID 141256418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).