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

C9H18FNO3 — CID 89141829

IUPACtert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11(5-4-10)6-7-12/h12H,4-7H2,1-3H3
InChIKeySTNWHDCDSPFFDQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.19
Rot. Bonds4

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

tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 89141829) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate
PubChem CID89141829
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Nametert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCF
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11(5-4-10)6-7-12/h12H,4-7H2,1-3H3
InChIKeySTNWHDCDSPFFDQ-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate (CID 89141829) is tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)CCF.
What is the InChIKey of tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is STNWHDCDSPFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11(5-4-10)6-7-12/h12H,4-7H2,1-3H3.
What are the key properties of tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate?
tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 207.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 89141829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).