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

C14H18FNO4 — CID 118265568

IUPACtert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(F)cc1C=O
InChIInChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)16-6-7-19-12-5-4-11(15)8-10(12)9-17/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyGYXPFSKVCQZNCW-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.54
Rot. Bonds5

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

tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate (PubChem CID 118265568) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
PubChem CID118265568
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Nametert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(F)cc1C=O
InChIInChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)16-6-7-19-12-5-4-11(15)8-10(12)9-17/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyGYXPFSKVCQZNCW-UHFFFAOYSA-N
XLogP2.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
tert-butyl N-[(2S)-2-(4-fluoro-2-formylphenoxy)propyl]carbamate
CID 134814530
tert-butyl N-[2-(2-bromo-3-formylphenoxy)ethyl]carbamate
CID 156905544
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
tert-butyl N-[2-[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]carbamate
CID 162438360
5-fluoro-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]benzoic acid
CID 166174887
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629
tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate
CID 89047540
tert-butyl N-[2-[2-[1-(tert-butylsulfanylamino)ethyl]-4-fluorophenoxy]ethyl]carbamate
CID 145224630
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate (CID 118265568) is tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc(F)cc1C=O.
What is the InChIKey of tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate?
The InChIKey is GYXPFSKVCQZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)16-6-7-19-12-5-4-11(15)8-10(12)9-17/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate?
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate has a molecular weight of 283.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate is sourced from PubChem (CID 118265568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).