4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

C14H24F3NO — CID 102897659

IUPAC4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)8-4-10-18-11-12-5-9-13(19-12)6-2-1-3-7-13/h12,18H,1-11H2
InChIKeyBGDJBRVDDSVUTM-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.80
Rot. Bonds5

About 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (PubChem CID 102897659) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
PubChem CID102897659
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)8-4-10-18-11-12-5-9-13(19-12)6-2-1-3-7-13/h12,18H,1-11H2
InChIKeyBGDJBRVDDSVUTM-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.80
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 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (CID 102897659) is 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is FC(F)(F)CCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The InChIKey is BGDJBRVDDSVUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)8-4-10-18-11-12-5-9-13(19-12)6-2-1-3-7-13/h12,18H,1-11H2.
What are the key properties of 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102897659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).