5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine

C11H20F3NO — CID 115895744

IUPAC5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine
SMILESCC(NCCCCC(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO/c1-9(10-4-7-16-8-10)15-6-3-2-5-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyMBCGFXNBRNRRNY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds6

About 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine

5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine (PubChem CID 115895744) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine
PubChem CID115895744
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine
SMILESCC(NCCCCC(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO/c1-9(10-4-7-16-8-10)15-6-3-2-5-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyMBCGFXNBRNRRNY-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
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-(oxolan-3-yl)ethyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine (CID 115895744) is 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine is CC(NCCCCC(F)(F)F)C1CCOC1.
What is the InChIKey of 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine?
The InChIKey is MBCGFXNBRNRRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(10-4-7-16-8-10)15-6-3-2-5-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine?
5,5,5-trifluoro-N-[1-(oxolan-3-yl)ethyl]pentan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 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-(oxolan-3-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 115895744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).