tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate

C9H18FNO2 — CID 86043733

IUPACtert-butyl N-ethyl-N-(2-fluoroethyl)carbamate
SMILESCCN(CCF)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-5-11(7-6-10)8(12)13-9(2,3)4/h5-7H2,1-4H3
InChIKeyKILWJCXYPPERHK-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate

tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate (PubChem CID 86043733) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-fluoroethyl)carbamate
PubChem CID86043733
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Nametert-butyl N-ethyl-N-(2-fluoroethyl)carbamate
SMILESCCN(CCF)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-5-11(7-6-10)8(12)13-9(2,3)4/h5-7H2,1-4H3
InChIKeyKILWJCXYPPERHK-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate (CID 86043733) is tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate is CCN(CCF)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate?
The InChIKey is KILWJCXYPPERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-5-11(7-6-10)8(12)13-9(2,3)4/h5-7H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate?
tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate 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 tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate is sourced from PubChem (CID 86043733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).