2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

C12H22FNO — CID 112562583

IUPAC2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H22FNO/c13-11(9-14)10-4-7-15-12(8-10)5-2-1-3-6-12/h10-11H,1-9,14H2
InChIKeyFCXGWEPLMUTFGJ-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.41
Rot. Bonds2

About 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 112562583) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID112562583
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H22FNO/c13-11(9-14)10-4-7-15-12(8-10)5-2-1-3-6-12/h10-11H,1-9,14H2
InChIKeyFCXGWEPLMUTFGJ-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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Related Compounds

1-Oxaspiro(5.5)undecan-4-amine
CID 64106253
[10-(Fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine
CID 170720988
2-[6-Oxaspiro[4.5]decan-9-yl] ethylamine
CID 79920888
9-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756955
10-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64758459
{5-Oxaspiro[3.5]nonan-8-yl}methanamine
CID 79905068
3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930
4,4,4-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79954090
1-(1-Oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148047
3-(2,2-Difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 103148924
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (CID 112562583) is 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is NCC(F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is FCXGWEPLMUTFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-11(9-14)10-4-7-15-12(8-10)5-2-1-3-6-12/h10-11H,1-9,14H2.
What are the key properties of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)ethanamine 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-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 112562583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).