tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate

C9H16FNO2 — CID 90381679

IUPACtert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate
SMILESC/C(F)=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H16FNO2/c1-7(10)5-6-11-8(12)13-9(2,3)4/h5H,6H2,1-4H3,(H,11,12)/b7-5+
InChIKeyOXVHEJJMXAVJSZ-FNORWQNLSA-N
MW189.23 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate

tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate (PubChem CID 90381679) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate
PubChem CID90381679
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Nametert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate
SMILESC/C(F)=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H16FNO2/c1-7(10)5-6-11-8(12)13-9(2,3)4/h5H,6H2,1-4H3,(H,11,12)/b7-5+
InChIKeyOXVHEJJMXAVJSZ-FNORWQNLSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate (CID 90381679) is tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate is C/C(F)=C\CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate?
The InChIKey is OXVHEJJMXAVJSZ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(10)5-6-11-8(12)13-9(2,3)4/h5H,6H2,1-4H3,(H,11,12)/b7-5+.
What are the key properties of tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate?
tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate has a molecular weight of 189.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-fluorobut-2-enyl]carbamate is sourced from PubChem (CID 90381679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).