ethyl N-fluorocarbamate;methane

C4H10FNO2 — CID 158743481

IUPACethyl N-fluorocarbamate;methane
SMILESC.CCOC(=O)NF
InChIInChI=1S/C3H6FNO2.CH4/c1-2-7-3(6)5-4;/h2H2,1H3,(H,5,6);1H4
InChIKeyLPKNIKAZCVUOPH-UHFFFAOYSA-N
MW123.13 g/mol
LogP1.25
Rot. Bonds1

About ethyl N-fluorocarbamate;methane

ethyl N-fluorocarbamate;methane (PubChem CID 158743481) has the molecular formula C4H10FNO2 and a molecular weight of 123.13 g/mol. Its IUPAC name is ethyl N-fluorocarbamate;methane.

Molecular Properties

Compound Nameethyl N-fluorocarbamate;methane
PubChem CID158743481
Molecular FormulaC4H10FNO2
Molecular Weight123.13 g/mol
Exact Mass123.07
IUPAC Nameethyl N-fluorocarbamate;methane
SMILESC.CCOC(=O)NF
InChIInChI=1S/C3H6FNO2.CH4/c1-2-7-3(6)5-4;/h2H2,1H3,(H,5,6);1H4
InChIKeyLPKNIKAZCVUOPH-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-fluorocarbamate;methane?
The IUPAC name of ethyl N-fluorocarbamate;methane (CID 158743481) is ethyl N-fluorocarbamate;methane.
What is the SMILES notation for ethyl N-fluorocarbamate;methane?
The canonical SMILES for ethyl N-fluorocarbamate;methane is C.CCOC(=O)NF.
What is the InChIKey of ethyl N-fluorocarbamate;methane?
The InChIKey is LPKNIKAZCVUOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2.CH4/c1-2-7-3(6)5-4;/h2H2,1H3,(H,5,6);1H4.
What are the key properties of ethyl N-fluorocarbamate;methane?
ethyl N-fluorocarbamate;methane has a molecular weight of 123.13 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-fluorocarbamate;methane is sourced from PubChem (CID 158743481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).