2-fluoroethyl N-tert-butylcarbamate

C7H14FNO2 — CID 20765235

IUPAC2-fluoroethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCF
InChIInChI=1S/C7H14FNO2/c1-7(2,3)9-6(10)11-5-4-8/h4-5H2,1-3H3,(H,9,10)
InChIKeyHHLBJIABKYTPBU-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.48
Rot. Bonds2

About 2-fluoroethyl N-tert-butylcarbamate

2-fluoroethyl N-tert-butylcarbamate (PubChem CID 20765235) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-fluoroethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-tert-butylcarbamate
PubChem CID20765235
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-fluoroethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCF
InChIInChI=1S/C7H14FNO2/c1-7(2,3)9-6(10)11-5-4-8/h4-5H2,1-3H3,(H,9,10)
InChIKeyHHLBJIABKYTPBU-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoroethyl N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-tert-butylcarbamate?
The IUPAC name of 2-fluoroethyl N-tert-butylcarbamate (CID 20765235) is 2-fluoroethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-tert-butylcarbamate?
The canonical SMILES for 2-fluoroethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-tert-butylcarbamate?
The InChIKey is HHLBJIABKYTPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(2,3)9-6(10)11-5-4-8/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-fluoroethyl N-tert-butylcarbamate?
2-fluoroethyl N-tert-butylcarbamate has a molecular weight of 163.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-tert-butylcarbamate is sourced from PubChem (CID 20765235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).