N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine

C12H20F3NO — CID 79904110

IUPACN-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)6-7-16-10-3-8-17-11(9-10)4-1-2-5-11/h10,16H,1-9H2
InChIKeyLPDZBRWCBMFTEP-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine

N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79904110) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79904110
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)6-7-16-10-3-8-17-11(9-10)4-1-2-5-11/h10,16H,1-9H2
InChIKeyLPDZBRWCBMFTEP-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine (CID 79904110) is N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine is FC(F)(F)CCNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is LPDZBRWCBMFTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)6-7-16-10-3-8-17-11(9-10)4-1-2-5-11/h10,16H,1-9H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 251.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79904110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).