3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine

C13H24FNO — CID 114624515

IUPAC3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine
SMILESCC1(C)CC(C2(F)CCC(N)C2)C(C)(C)O1
InChIInChI=1S/C13H24FNO/c1-11(2)8-10(12(3,4)16-11)13(14)6-5-9(15)7-13/h9-10H,5-8,15H2,1-4H3
InChIKeyUGRGSSIPMKULNO-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.80
Rot. Bonds1

About 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine

3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine (PubChem CID 114624515) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine
PubChem CID114624515
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine
SMILESCC1(C)CC(C2(F)CCC(N)C2)C(C)(C)O1
InChIInChI=1S/C13H24FNO/c1-11(2)8-10(12(3,4)16-11)13(14)6-5-9(15)7-13/h9-10H,5-8,15H2,1-4H3
InChIKeyUGRGSSIPMKULNO-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine (CID 114624515) is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine is CC1(C)CC(C2(F)CCC(N)C2)C(C)(C)O1.
What is the InChIKey of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine?
The InChIKey is UGRGSSIPMKULNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-11(2)8-10(12(3,4)16-11)13(14)6-5-9(15)7-13/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine?
3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 114624515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).