methyl N-(2-fluoroethyl)carbamate

C4H8FNO2 — CID 14512865

IUPACmethyl N-(2-fluoroethyl)carbamate
SMILESCOC(=O)NCCF
InChIInChI=1S/C4H8FNO2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKeyGKTOMUXAUSTGIZ-UHFFFAOYSA-N
MW121.11 g/mol
LogP0.31
Rot. Bonds2

About methyl N-(2-fluoroethyl)carbamate

methyl N-(2-fluoroethyl)carbamate (PubChem CID 14512865) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is methyl N-(2-fluoroethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-fluoroethyl)carbamate
PubChem CID14512865
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Namemethyl N-(2-fluoroethyl)carbamate
SMILESCOC(=O)NCCF
InChIInChI=1S/C4H8FNO2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKeyGKTOMUXAUSTGIZ-UHFFFAOYSA-N
XLogP0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
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methyl N-(3-aminooxypropyl)carbamate
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methyl N-(methoxymethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-fluoroethyl)carbamate?
The IUPAC name of methyl N-(2-fluoroethyl)carbamate (CID 14512865) is methyl N-(2-fluoroethyl)carbamate.
What is the SMILES notation for methyl N-(2-fluoroethyl)carbamate?
The canonical SMILES for methyl N-(2-fluoroethyl)carbamate is COC(=O)NCCF.
What is the InChIKey of methyl N-(2-fluoroethyl)carbamate?
The InChIKey is GKTOMUXAUSTGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7).
What are the key properties of methyl N-(2-fluoroethyl)carbamate?
methyl N-(2-fluoroethyl)carbamate has a molecular weight of 121.11 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-fluoroethyl)carbamate is sourced from PubChem (CID 14512865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).