prop-2-enyl N-(2-fluoroethyl)carbamate

C6H10FNO2 — CID 88603859

IUPACprop-2-enyl N-(2-fluoroethyl)carbamate
SMILESC=CCOC(=O)NCCF
InChIInChI=1S/C6H10FNO2/c1-2-5-10-6(9)8-4-3-7/h2H,1,3-5H2,(H,8,9)
InChIKeyNVDKRJXSHBEFTI-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.87
Rot. Bonds4

About prop-2-enyl N-(2-fluoroethyl)carbamate

prop-2-enyl N-(2-fluoroethyl)carbamate (PubChem CID 88603859) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is prop-2-enyl N-(2-fluoroethyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-fluoroethyl)carbamate
PubChem CID88603859
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Nameprop-2-enyl N-(2-fluoroethyl)carbamate
SMILESC=CCOC(=O)NCCF
InChIInChI=1S/C6H10FNO2/c1-2-5-10-6(9)8-4-3-7/h2H,1,3-5H2,(H,8,9)
InChIKeyNVDKRJXSHBEFTI-UHFFFAOYSA-N
XLogP0.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2-fluoroethyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-fluoroethyl)carbamate (CID 88603859) is prop-2-enyl N-(2-fluoroethyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-fluoroethyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-fluoroethyl)carbamate is C=CCOC(=O)NCCF.
What is the InChIKey of prop-2-enyl N-(2-fluoroethyl)carbamate?
The InChIKey is NVDKRJXSHBEFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-2-5-10-6(9)8-4-3-7/h2H,1,3-5H2,(H,8,9).
What are the key properties of prop-2-enyl N-(2-fluoroethyl)carbamate?
prop-2-enyl N-(2-fluoroethyl)carbamate has a molecular weight of 147.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-fluoroethyl)carbamate is sourced from PubChem (CID 88603859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).