5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine

C15H26F3NO — CID 102897661

IUPAC5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)9-4-5-11-19-12-13-6-10-14(20-13)7-2-1-3-8-14/h13,19H,1-12H2
InChIKeyUBDUNQJBIRPGCR-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.19
Rot. Bonds6

About 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine

5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine (PubChem CID 102897661) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
PubChem CID102897661
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)9-4-5-11-19-12-13-6-10-14(20-13)7-2-1-3-8-14/h13,19H,1-12H2
InChIKeyUBDUNQJBIRPGCR-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine (CID 102897661) is 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine is FC(F)(F)CCCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
The InChIKey is UBDUNQJBIRPGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c16-15(17,18)9-4-5-11-19-12-13-6-10-14(20-13)7-2-1-3-8-14/h13,19H,1-12H2.
What are the key properties of 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine?
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 102897661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).