2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

C9H17FN2O3 — CID 88906394

IUPAC2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OCCF)C(C)C
InChIInChI=1S/C9H17FN2O3/c1-6(2)7(8(13)11-3)12-9(14)15-5-4-10/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyIUXGBRAZDPYHLQ-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.45
Rot. Bonds5

About 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (PubChem CID 88906394) has the molecular formula C9H17FN2O3 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
PubChem CID88906394
Molecular FormulaC9H17FN2O3
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OCCF)C(C)C
InChIInChI=1S/C9H17FN2O3/c1-6(2)7(8(13)11-3)12-9(14)15-5-4-10/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyIUXGBRAZDPYHLQ-UHFFFAOYSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (CID 88906394) is 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is CNC(=O)C(NC(=O)OCCF)C(C)C.
What is the InChIKey of 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is IUXGBRAZDPYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3/c1-6(2)7(8(13)11-3)12-9(14)15-5-4-10/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 220.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 88906394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).