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

C14H18FNO3 — CID 11265628

IUPACtert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-9(16-13(18)19-14(2,3)4)12(17)10-5-7-11(15)8-6-10/h5-9H,1-4H3,(H,16,18)/t9-/m0/s1
InChIKeyOZFLADPELOCPRG-VIFPVBQESA-N
MW267.30 g/mol
LogP2.92
Rot. Bonds3

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

tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 11265628) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
PubChem CID11265628
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-9(16-13(18)19-14(2,3)4)12(17)10-5-7-11(15)8-6-10/h5-9H,1-4H3,(H,16,18)/t9-/m0/s1
InChIKeyOZFLADPELOCPRG-VIFPVBQESA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate (CID 11265628) is tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is OZFLADPELOCPRG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(16-13(18)19-14(2,3)4)12(17)10-5-7-11(15)8-6-10/h5-9H,1-4H3,(H,16,18)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 267.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11265628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).