5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine

C9H18F3NO — CID 115518656

IUPAC5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine
SMILESCOCCCNCCCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-14-8-4-7-13-6-3-2-5-9(10,11)12/h13H,2-8H2,1H3
InChIKeyFRRRENVYQAYYLP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.35
Rot. Bonds8

About 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine

5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine (PubChem CID 115518656) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine
PubChem CID115518656
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine
SMILESCOCCCNCCCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-14-8-4-7-13-6-3-2-5-9(10,11)12/h13H,2-8H2,1H3
InChIKeyFRRRENVYQAYYLP-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.35
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-(3-methoxypropyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine (CID 115518656) is 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine is COCCCNCCCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine?
The InChIKey is FRRRENVYQAYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-14-8-4-7-13-6-3-2-5-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine?
5,5,5-trifluoro-N-(3-methoxypropyl)pentan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.35, 8 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-(3-methoxypropyl)pentan-1-amine is sourced from PubChem (CID 115518656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).