N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide

C11H14F4N2O2 — CID 106291294

IUPACN-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
SMILESCC(NCC(F)(F)C(F)F)C(=O)NCc1ccco1
InChIInChI=1S/C11H14F4N2O2/c1-7(17-6-11(14,15)10(12)13)9(18)16-5-8-3-2-4-19-8/h2-4,7,10,17H,5-6H2,1H3,(H,16,18)
InChIKeyBGKNNPFMVHETQP-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.77
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide

N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide (PubChem CID 106291294) has the molecular formula C11H14F4N2O2 and a molecular weight of 282.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
PubChem CID106291294
Molecular FormulaC11H14F4N2O2
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC NameN-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
SMILESCC(NCC(F)(F)C(F)F)C(=O)NCc1ccco1
InChIInChI=1S/C11H14F4N2O2/c1-7(17-6-11(14,15)10(12)13)9(18)16-5-8-3-2-4-19-8/h2-4,7,10,17H,5-6H2,1H3,(H,16,18)
InChIKeyBGKNNPFMVHETQP-UHFFFAOYSA-N
XLogP1.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106255709
N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
CID 106146484
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 106147403
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
N-(furan-2-ylmethyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
CID 106189742

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide (CID 106291294) is N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide is CC(NCC(F)(F)C(F)F)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
The InChIKey is BGKNNPFMVHETQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2/c1-7(17-6-11(14,15)10(12)13)9(18)16-5-8-3-2-4-19-8/h2-4,7,10,17H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide?
N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide has a molecular weight of 282.24 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide is sourced from PubChem (CID 106291294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).