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

C8H14FNO3 — CID 144904712

IUPAC2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(C=O)NC(=O)OCCF
InChIInChI=1S/C8H14FNO3/c1-6(2)7(5-11)10-8(12)13-4-3-9/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyMVEBVQLQLSCUBZ-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.91
Rot. Bonds5

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

2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate (PubChem CID 144904712) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate
PubChem CID144904712
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(C=O)NC(=O)OCCF
InChIInChI=1S/C8H14FNO3/c1-6(2)7(5-11)10-8(12)13-4-3-9/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyMVEBVQLQLSCUBZ-UHFFFAOYSA-N
XLogP0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate?
The IUPAC name of 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate (CID 144904712) is 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate is CC(C)C(C=O)NC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate?
The InChIKey is MVEBVQLQLSCUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-6(2)7(5-11)10-8(12)13-4-3-9/h5-7H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate?
2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate has a molecular weight of 191.20 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(3-methyl-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 144904712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).