N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

C12H19F4NO2 — CID 103475884

IUPACN-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1=CCCO1
InChIInChI=1S/C12H19F4NO2/c1-2-5-17-9(10-4-3-6-19-10)7-18-8-12(15,16)11(13)14/h4,9,11,17H,2-3,5-8H2,1H3
InChIKeyMLNWEMUCGDIUTR-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.58
Rot. Bonds9

About N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (PubChem CID 103475884) has the molecular formula C12H19F4NO2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
PubChem CID103475884
Molecular FormulaC12H19F4NO2
Molecular Weight285.28 g/mol
Exact Mass285.14
IUPAC NameN-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)C1=CCCO1
InChIInChI=1S/C12H19F4NO2/c1-2-5-17-9(10-4-3-6-19-10)7-18-8-12(15,16)11(13)14/h4,9,11,17H,2-3,5-8H2,1H3
InChIKeyMLNWEMUCGDIUTR-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.58
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-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (CID 103475884) is N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)C(F)F)C1=CCCO1.
What is the InChIKey of N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The InChIKey is MLNWEMUCGDIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO2/c1-2-5-17-9(10-4-3-6-19-10)7-18-8-12(15,16)11(13)14/h4,9,11,17H,2-3,5-8H2,1H3.
What are the key properties of N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine has a molecular weight of 285.28 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydrofuran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103475884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).