[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

C10H18FNO3 — CID 174666913

IUPAC[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(CO)CC(F)C1
InChIInChI=1S/C10H18FNO3/c1-9(2,3)12-8(14)15-10(6-13)4-7(11)5-10/h7,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyNDOQWSFKRFHGGZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.37
Rot. Bonds2

About [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (PubChem CID 174666913) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
PubChem CID174666913
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(CO)CC(F)C1
InChIInChI=1S/C10H18FNO3/c1-9(2,3)12-8(14)15-10(6-13)4-7(11)5-10/h7,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyNDOQWSFKRFHGGZ-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (CID 174666913) is [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(CO)CC(F)C1.
What is the InChIKey of [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The InChIKey is NDOQWSFKRFHGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-9(2,3)12-8(14)15-10(6-13)4-7(11)5-10/h7,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate has a molecular weight of 219.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 174666913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).