tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate

C10H18FNO3 — CID 143808678

IUPACtert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate
SMILESCOC/C(F)=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-6-5-8(11)7-14-4/h5H,6-7H2,1-4H3,(H,12,13)/b8-5+
InChIKeyAHXBSJNFWQXHHO-VMPITWQZSA-N
MW219.26 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate

tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate (PubChem CID 143808678) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate
PubChem CID143808678
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate
SMILESCOC/C(F)=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-6-5-8(11)7-14-4/h5H,6-7H2,1-4H3,(H,12,13)/b8-5+
InChIKeyAHXBSJNFWQXHHO-VMPITWQZSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate (CID 143808678) is tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate is COC/C(F)=C\CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate?
The InChIKey is AHXBSJNFWQXHHO-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-6-5-8(11)7-14-4/h5H,6-7H2,1-4H3,(H,12,13)/b8-5+.
What are the key properties of tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate?
tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate has a molecular weight of 219.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate is sourced from PubChem (CID 143808678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).