tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate

C9H18FNO3 — CID 105460276

IUPACtert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate
SMILESCN(CC(F)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11(4)5-7(10)6-12/h7,12H,5-6H2,1-4H3
InChIKeyLTIZKJANTWWOKA-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.18
Rot. Bonds3

About tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate

tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate (PubChem CID 105460276) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate
PubChem CID105460276
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Nametert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate
SMILESCN(CC(F)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11(4)5-7(10)6-12/h7,12H,5-6H2,1-4H3
InChIKeyLTIZKJANTWWOKA-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.18
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-fluoro-3-hydroxypropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate (CID 105460276) is tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate is CN(CC(F)CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate?
The InChIKey is LTIZKJANTWWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-9(2,3)14-8(13)11(4)5-7(10)6-12/h7,12H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate?
tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate has a molecular weight of 207.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-3-hydroxypropyl)-N-methylcarbamate is sourced from PubChem (CID 105460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).