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

C9H17F4NO2 — CID 62597645

IUPAC1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-7(5-15-2)14-3-4-16-6-9(12,13)8(10)11/h7-8,14H,3-6H2,1-2H3
InChIKeyRDMWBBFXPXSIPR-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.53
Rot. Bonds9

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

1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine (PubChem CID 62597645) has the molecular formula C9H17F4NO2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine
PubChem CID62597645
Molecular FormulaC9H17F4NO2
Molecular Weight247.23 g/mol
Exact Mass247.12
IUPAC Name1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-7(5-15-2)14-3-4-16-6-9(12,13)8(10)11/h7-8,14H,3-6H2,1-2H3
InChIKeyRDMWBBFXPXSIPR-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.53
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 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine (CID 62597645) is 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine is COCC(C)NCCOCC(F)(F)C(F)F.
What is the InChIKey of 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine?
The InChIKey is RDMWBBFXPXSIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO2/c1-7(5-15-2)14-3-4-16-6-9(12,13)8(10)11/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine?
1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine has a molecular weight of 247.23 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62597645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).