2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine

C10H13F4NO — CID 104578482

IUPAC2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NCC(F)(F)C(F)F)o1
InChIInChI=1S/C10H13F4NO/c1-6-3-4-8(16-6)7(2)15-5-10(13,14)9(11)12/h3-4,7,9,15H,5H2,1-2H3
InChIKeyXIUIAAZTUSGPJL-UHFFFAOYSA-N
MW239.21 g/mol
LogP3.14
Rot. Bonds5

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

2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 104578482) has the molecular formula C10H13F4NO and a molecular weight of 239.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID104578482
Molecular FormulaC10H13F4NO
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NCC(F)(F)C(F)F)o1
InChIInChI=1S/C10H13F4NO/c1-6-3-4-8(16-6)7(2)15-5-10(13,14)9(11)12/h3-4,7,9,15H,5H2,1-2H3
InChIKeyXIUIAAZTUSGPJL-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
CID 114169679
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile
CID 113489749
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 60815401
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (CID 104578482) is 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is Cc1ccc(C(C)NCC(F)(F)C(F)F)o1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is XIUIAAZTUSGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO/c1-6-3-4-8(16-6)7(2)15-5-10(13,14)9(11)12/h3-4,7,9,15H,5H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 239.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104578482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).