N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

C12H21F4NO2 — CID 104749000

IUPACN-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C12H21F4NO2/c1-2-4-17-10(9-3-5-18-6-9)7-19-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3
InChIKeyAKPUTHLDBQKICW-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.31
Rot. Bonds9

About N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (PubChem CID 104749000) has the molecular formula C12H21F4NO2 and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
PubChem CID104749000
Molecular FormulaC12H21F4NO2
Molecular Weight287.30 g/mol
Exact Mass287.15
IUPAC NameN-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C12H21F4NO2/c1-2-4-17-10(9-3-5-18-6-9)7-19-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3
InChIKeyAKPUTHLDBQKICW-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (CID 104749000) is N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)C(F)F)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The InChIKey is AKPUTHLDBQKICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO2/c1-2-4-17-10(9-3-5-18-6-9)7-19-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine has a molecular weight of 287.30 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 104749000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).