N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine

C13H22F3NO — CID 79903112

IUPACN-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)7-8-17-11-4-9-18-12(10-11)5-2-1-3-6-12/h11,17H,1-10H2
InChIKeyDOOLILWZZSLGRH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine

N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79903112) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79903112
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESFC(F)(F)CCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)7-8-17-11-4-9-18-12(10-11)5-2-1-3-6-12/h11,17H,1-10H2
InChIKeyDOOLILWZZSLGRH-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
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)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79903112) is N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine is FC(F)(F)CCNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is DOOLILWZZSLGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)7-8-17-11-4-9-18-12(10-11)5-2-1-3-6-12/h11,17H,1-10H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 265.32 g/mol, XLogP of 3.41, 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)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).