2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine

C8H15F4NO — CID 45283045

IUPAC2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine
SMILESCCC(N)C(C)OCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-3-6(13)5(2)14-4-8(11,12)7(9)10/h5-7H,3-4,13H2,1-2H3
InChIKeyAFKAOKGFWWLOLL-UHFFFAOYSA-N
MW217.21 g/mol
LogP2.03
Rot. Bonds6

About 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine

2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine (PubChem CID 45283045) has the molecular formula C8H15F4NO and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine
PubChem CID45283045
Molecular FormulaC8H15F4NO
Molecular Weight217.21 g/mol
Exact Mass217.11
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine
SMILESCCC(N)C(C)OCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-3-6(13)5(2)14-4-8(11,12)7(9)10/h5-7H,3-4,13H2,1-2H3
InChIKeyAFKAOKGFWWLOLL-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine (CID 45283045) is 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine is CCC(N)C(C)OCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine?
The InChIKey is AFKAOKGFWWLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NO/c1-3-6(13)5(2)14-4-8(11,12)7(9)10/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine?
2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine has a molecular weight of 217.21 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)pentan-3-amine is sourced from PubChem (CID 45283045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).