tert-butyl N-(3-fluoroprop-2-enyl)carbamate

C8H14FNO2 — CID 175925790

IUPACtert-butyl N-(3-fluoroprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=CF
InChIInChI=1S/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyGXFHBSJPEPXHCY-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl N-(3-fluoroprop-2-enyl)carbamate

tert-butyl N-(3-fluoroprop-2-enyl)carbamate (PubChem CID 175925790) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is tert-butyl N-(3-fluoroprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoroprop-2-enyl)carbamate
PubChem CID175925790
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Nametert-butyl N-(3-fluoroprop-2-enyl)carbamate
SMILESCC(C)(C)OC(=O)NCC=CF
InChIInChI=1S/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11)
InChIKeyGXFHBSJPEPXHCY-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoroprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoroprop-2-enyl)carbamate (CID 175925790) is tert-butyl N-(3-fluoroprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoroprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoroprop-2-enyl)carbamate is CC(C)(C)OC(=O)NCC=CF.
What is the InChIKey of tert-butyl N-(3-fluoroprop-2-enyl)carbamate?
The InChIKey is GXFHBSJPEPXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-5H,6H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-(3-fluoroprop-2-enyl)carbamate?
tert-butyl N-(3-fluoroprop-2-enyl)carbamate has a molecular weight of 175.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoroprop-2-enyl)carbamate is sourced from PubChem (CID 175925790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).