tert-butyl N-(3-fluorooxycyclobutyl)carbamate

C9H16FNO3 — CID 145261863

IUPACtert-butyl N-(3-fluorooxycyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(OF)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)13-8(12)11-6-4-7(5-6)14-10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyRMOWQQUVRPNRDX-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.94
Rot. Bonds2

About tert-butyl N-(3-fluorooxycyclobutyl)carbamate

tert-butyl N-(3-fluorooxycyclobutyl)carbamate (PubChem CID 145261863) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is tert-butyl N-(3-fluorooxycyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluorooxycyclobutyl)carbamate
PubChem CID145261863
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Nametert-butyl N-(3-fluorooxycyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(OF)C1
InChIInChI=1S/C9H16FNO3/c1-9(2,3)13-8(12)11-6-4-7(5-6)14-10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyRMOWQQUVRPNRDX-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluorooxycyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-fluorooxycyclobutyl)carbamate (CID 145261863) is tert-butyl N-(3-fluorooxycyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluorooxycyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluorooxycyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(OF)C1.
What is the InChIKey of tert-butyl N-(3-fluorooxycyclobutyl)carbamate?
The InChIKey is RMOWQQUVRPNRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-9(2,3)13-8(12)11-6-4-7(5-6)14-10/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(3-fluorooxycyclobutyl)carbamate?
tert-butyl N-(3-fluorooxycyclobutyl)carbamate has a molecular weight of 205.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluorooxycyclobutyl)carbamate is sourced from PubChem (CID 145261863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).