tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate

C15H20FNO4 — CID 134814530

IUPACtert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
SMILESC[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1C=O
InChIInChI=1S/C15H20FNO4/c1-10(8-17-14(19)21-15(2,3)4)20-13-6-5-12(16)7-11(13)9-18/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyJJVVSPQLRGTDQS-JTQLQIEISA-N
MW297.33 g/mol
LogP2.93
Rot. Bonds5

About tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate

tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate (PubChem CID 134814530) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
PubChem CID134814530
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nametert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
SMILESC[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1C=O
InChIInChI=1S/C15H20FNO4/c1-10(8-17-14(19)21-15(2,3)4)20-13-6-5-12(16)7-11(13)9-18/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m0/s1
InChIKeyJJVVSPQLRGTDQS-JTQLQIEISA-N
XLogP2.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(4-fluoro-2-propan-2-ylphenoxy)propyl]carbamate
CID 145230413
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[(2S)-2-[4-fluoro-2-[[(2-hydroxycyclopentyl)amino]methyl]phenoxy]propyl]carbamate
CID 165168539
tert-butyl N-[3-(5-fluoro-2-nitrophenoxy)butyl]carbamate
CID 58413304
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate
CID 142279103
tert-butyl N-[2-(2-ethyl-4,6-difluorophenoxy)propyl]carbamate;fluoroethane
CID 142279124
[(2S)-2-(5-fluoro-2-formylphenoxy)propyl] N-tert-butylcarbamate
CID 175166106
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
tert-butyl N-[2-[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111682008
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate (CID 134814530) is tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate is C[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(F)cc1C=O.
What is the InChIKey of tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate?
The InChIKey is JJVVSPQLRGTDQS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20FNO4/c1-10(8-17-14(19)21-15(2,3)4)20-13-6-5-12(16)7-11(13)9-18/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate?
tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate has a molecular weight of 297.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate is sourced from PubChem (CID 134814530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).