2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine

C9H19FN2 — CID 105435909

IUPAC2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine
SMILESCC(C)(C)N1CC(C(F)CN)C1
InChIInChI=1S/C9H19FN2/c1-9(2,3)12-5-7(6-12)8(10)4-11/h7-8H,4-6,11H2,1-3H3
InChIKeyBXLBOTQWIVMMSJ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.01
Rot. Bonds2

About 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine

2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine (PubChem CID 105435909) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine
PubChem CID105435909
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine
SMILESCC(C)(C)N1CC(C(F)CN)C1
InChIInChI=1S/C9H19FN2/c1-9(2,3)12-5-7(6-12)8(10)4-11/h7-8H,4-6,11H2,1-3H3
InChIKeyBXLBOTQWIVMMSJ-UHFFFAOYSA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine?
The IUPAC name of 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine (CID 105435909) is 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine is CC(C)(C)N1CC(C(F)CN)C1.
What is the InChIKey of 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine?
The InChIKey is BXLBOTQWIVMMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(2,3)12-5-7(6-12)8(10)4-11/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine?
2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine has a molecular weight of 174.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylazetidin-3-yl)-2-fluoroethanamine is sourced from PubChem (CID 105435909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).