tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate

C10H18FNO2 — CID 146082151

IUPACtert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(F)(CN)C1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)14-8(13)7-4-10(11,5-7)6-12/h7H,4-6,12H2,1-3H3
InChIKeyXNQTWZWUAYMTEI-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.41
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate

tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate (PubChem CID 146082151) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate
PubChem CID146082151
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nametert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(F)(CN)C1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)14-8(13)7-4-10(11,5-7)6-12/h7H,4-6,12H2,1-3H3
InChIKeyXNQTWZWUAYMTEI-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate (CID 146082151) is tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate is CC(C)(C)OC(=O)C1CC(F)(CN)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate?
The InChIKey is XNQTWZWUAYMTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-9(2,3)14-8(13)7-4-10(11,5-7)6-12/h7H,4-6,12H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate?
tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-3-fluorocyclobutane-1-carboxylate is sourced from PubChem (CID 146082151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).