N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine

C12H21F4NO2 — CID 55077655

IUPACN-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COCC(F)(F)C(F)F)O1
InChIInChI=1S/C12H21F4NO2/c1-2-5-17-6-9-3-4-10(19-9)7-18-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3
InChIKeyATGAUJDVGUWVEI-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.45
Rot. Bonds9

About N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine

N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 55077655) has the molecular formula C12H21F4NO2 and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID55077655
Molecular FormulaC12H21F4NO2
Molecular Weight287.30 g/mol
Exact Mass287.15
IUPAC NameN-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COCC(F)(F)C(F)F)O1
InChIInChI=1S/C12H21F4NO2/c1-2-5-17-6-9-3-4-10(19-9)7-18-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3
InChIKeyATGAUJDVGUWVEI-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine (CID 55077655) is N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(COCC(F)(F)C(F)F)O1.
What is the InChIKey of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is ATGAUJDVGUWVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO2/c1-2-5-17-6-9-3-4-10(19-9)7-18-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3.
What are the key properties of N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 287.30 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55077655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).