1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

C10H13F4NO — CID 79660178

IUPAC1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(F)(F)C(F)F)o1
InChIInChI=1S/C10H13F4NO/c1-3-6-4-5-7(16-6)8(15-2)10(13,14)9(11)12/h4-5,8-9,15H,3H2,1-2H3
InChIKeyPWFMOWFPGDDHOZ-UHFFFAOYSA-N
MW239.21 g/mol
LogP3.00
Rot. Bonds5

About 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (PubChem CID 79660178) has the molecular formula C10H13F4NO and a molecular weight of 239.21 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
PubChem CID79660178
Molecular FormulaC10H13F4NO
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(F)(F)C(F)F)o1
InChIInChI=1S/C10H13F4NO/c1-3-6-4-5-7(16-6)8(15-2)10(13,14)9(11)12/h4-5,8-9,15H,3H2,1-2H3
InChIKeyPWFMOWFPGDDHOZ-UHFFFAOYSA-N
XLogP3.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 53.00
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 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (CID 79660178) is 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is CCc1ccc(C(NC)C(F)(F)C(F)F)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The InChIKey is PWFMOWFPGDDHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO/c1-3-6-4-5-7(16-6)8(15-2)10(13,14)9(11)12/h4-5,8-9,15H,3H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine has a molecular weight of 239.21 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 79660178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).