5-(2,2,2-trifluoroethoxy)pentan-1-amine

C7H14F3NO — CID 61491327

IUPAC5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESNCCCCCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c8-7(9,10)6-12-5-3-1-2-4-11/h1-6,11H2
InChIKeyBMEYUMFFLTXFEG-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.69
Rot. Bonds6

About 5-(2,2,2-trifluoroethoxy)pentan-1-amine

5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 61491327) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID61491327
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESNCCCCCOCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c8-7(9,10)6-12-5-3-1-2-4-11/h1-6,11H2
InChIKeyBMEYUMFFLTXFEG-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.69
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-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 61491327) is 5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pentan-1-amine is NCCCCCOCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is BMEYUMFFLTXFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c8-7(9,10)6-12-5-3-1-2-4-11/h1-6,11H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)pentan-1-amine?
5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 61491327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).