fluoromethyl N,N-diethylcarbamate

C6H12FNO2 — CID 86664946

IUPACfluoromethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCF
InChIInChI=1S/C6H12FNO2/c1-3-8(4-2)6(9)10-5-7/h3-5H2,1-2H3
InChIKeyRFLJYVRGCWNZRH-UHFFFAOYSA-N
MW149.16 g/mol
LogP1.39
Rot. Bonds3

About fluoromethyl N,N-diethylcarbamate

fluoromethyl N,N-diethylcarbamate (PubChem CID 86664946) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is fluoromethyl N,N-diethylcarbamate.

Molecular Properties

Compound Namefluoromethyl N,N-diethylcarbamate
PubChem CID86664946
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Namefluoromethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCF
InChIInChI=1S/C6H12FNO2/c1-3-8(4-2)6(9)10-5-7/h3-5H2,1-2H3
InChIKeyRFLJYVRGCWNZRH-UHFFFAOYSA-N
XLogP1.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl N,N-diethylcarbamate?
The IUPAC name of fluoromethyl N,N-diethylcarbamate (CID 86664946) is fluoromethyl N,N-diethylcarbamate.
What is the SMILES notation for fluoromethyl N,N-diethylcarbamate?
The canonical SMILES for fluoromethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCF.
What is the InChIKey of fluoromethyl N,N-diethylcarbamate?
The InChIKey is RFLJYVRGCWNZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-3-8(4-2)6(9)10-5-7/h3-5H2,1-2H3.
What are the key properties of fluoromethyl N,N-diethylcarbamate?
fluoromethyl N,N-diethylcarbamate has a molecular weight of 149.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl N,N-diethylcarbamate is sourced from PubChem (CID 86664946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).