2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C10H20FNO — CID 114624505

IUPAC2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(F)CN)C(C)(C)O1
InChIInChI=1S/C10H20FNO/c1-9(2)5-7(8(11)6-12)10(3,4)13-9/h7-8H,5-6,12H2,1-4H3
InChIKeyZIUXAKPZGBDSOR-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.88
Rot. Bonds2

About 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 114624505) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID114624505
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(F)CN)C(C)(C)O1
InChIInChI=1S/C10H20FNO/c1-9(2)5-7(8(11)6-12)10(3,4)13-9/h7-8H,5-6,12H2,1-4H3
InChIKeyZIUXAKPZGBDSOR-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 114624505) is 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CC1(C)CC(C(F)CN)C(C)(C)O1.
What is the InChIKey of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is ZIUXAKPZGBDSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2)5-7(8(11)6-12)10(3,4)13-9/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 189.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114624505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).