2-fluoroethyl N-tert-butyl-N-ethylcarbamate

C9H18FNO2 — CID 88877662

IUPAC2-fluoroethyl N-tert-butyl-N-ethylcarbamate
SMILESCCN(C(=O)OCCF)C(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-5-11(9(2,3)4)8(12)13-7-6-10/h5-7H2,1-4H3
InChIKeyVEIHSBQITKIORB-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.21
Rot. Bonds3

About 2-fluoroethyl N-tert-butyl-N-ethylcarbamate

2-fluoroethyl N-tert-butyl-N-ethylcarbamate (PubChem CID 88877662) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-fluoroethyl N-tert-butyl-N-ethylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-tert-butyl-N-ethylcarbamate
PubChem CID88877662
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name2-fluoroethyl N-tert-butyl-N-ethylcarbamate
SMILESCCN(C(=O)OCCF)C(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-5-11(9(2,3)4)8(12)13-7-6-10/h5-7H2,1-4H3
InChIKeyVEIHSBQITKIORB-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoroethyl N-tert-butyl-N-ethylcarbamate 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-butyl-N-ethylcarbamate?
The IUPAC name of 2-fluoroethyl N-tert-butyl-N-ethylcarbamate (CID 88877662) is 2-fluoroethyl N-tert-butyl-N-ethylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-tert-butyl-N-ethylcarbamate?
The canonical SMILES for 2-fluoroethyl N-tert-butyl-N-ethylcarbamate is CCN(C(=O)OCCF)C(C)(C)C.
What is the InChIKey of 2-fluoroethyl N-tert-butyl-N-ethylcarbamate?
The InChIKey is VEIHSBQITKIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-5-11(9(2,3)4)8(12)13-7-6-10/h5-7H2,1-4H3.
What are the key properties of 2-fluoroethyl N-tert-butyl-N-ethylcarbamate?
2-fluoroethyl N-tert-butyl-N-ethylcarbamate has a molecular weight of 191.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-tert-butyl-N-ethylcarbamate is sourced from PubChem (CID 88877662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).