2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

C12H22FNO — CID 112565181

IUPAC2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCC(F)(CN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C12H22FNO/c1-11(13,9-14)10-4-7-15-12(8-10)5-2-3-6-12/h10H,2-9,14H2,1H3
InChIKeyBXJYDKOZCIWTOF-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.41
Rot. Bonds2

About 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 112565181) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID112565181
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCC(F)(CN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C12H22FNO/c1-11(13,9-14)10-4-7-15-12(8-10)5-2-3-6-12/h10H,2-9,14H2,1H3
InChIKeyBXJYDKOZCIWTOF-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (CID 112565181) is 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is CC(F)(CN)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is BXJYDKOZCIWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-11(13,9-14)10-4-7-15-12(8-10)5-2-3-6-12/h10H,2-9,14H2,1H3.
What are the key properties of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 112565181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).