tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate

C8H16FNO3 — CID 57210334

IUPACtert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(O)CCF
InChIInChI=1S/C8H16FNO3/c1-8(2,3)13-7(12)10-6(11)4-5-9/h6,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyHGWMWGMQJVEBPW-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.19
Rot. Bonds3

About tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate

tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate (PubChem CID 57210334) has the molecular formula C8H16FNO3 and a molecular weight of 193.22 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate
PubChem CID57210334
Molecular FormulaC8H16FNO3
Molecular Weight193.22 g/mol
Exact Mass193.11
IUPAC Nametert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(O)CCF
InChIInChI=1S/C8H16FNO3/c1-8(2,3)13-7(12)10-6(11)4-5-9/h6,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyHGWMWGMQJVEBPW-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate (CID 57210334) is tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate is CC(C)(C)OC(=O)NC(O)CCF.
What is the InChIKey of tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate?
The InChIKey is HGWMWGMQJVEBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO3/c1-8(2,3)13-7(12)10-6(11)4-5-9/h6,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate?
tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate has a molecular weight of 193.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoro-1-hydroxypropyl)carbamate is sourced from PubChem (CID 57210334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).