3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide

C13H16F3NO3 — CID 81343521

IUPAC3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1CC1c1ccc(CCC(=O)NOCC(F)(F)F)o1
InChIInChI=1S/C13H16F3NO3/c1-8-6-10(8)11-4-2-9(20-11)3-5-12(18)17-19-7-13(14,15)16/h2,4,8,10H,3,5-7H2,1H3,(H,17,18)
InChIKeyRHBXBDQSOXVACZ-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.95
Rot. Bonds6

About 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81343521) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81343521
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1CC1c1ccc(CCC(=O)NOCC(F)(F)F)o1
InChIInChI=1S/C13H16F3NO3/c1-8-6-10(8)11-4-2-9(20-11)3-5-12(18)17-19-7-13(14,15)16/h2,4,8,10H,3,5-7H2,1H3,(H,17,18)
InChIKeyRHBXBDQSOXVACZ-UHFFFAOYSA-N
XLogP2.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94502622
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
CID 56812725
N-butan-2-yl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014175
N-(2,3-dihydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 66168303
N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 115771031
N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94017148
N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103713210
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94017153
methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate
CID 41237032
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid
CID 43630757
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 25340721

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide (CID 81343521) is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide is CC1CC1c1ccc(CCC(=O)NOCC(F)(F)F)o1.
What is the InChIKey of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RHBXBDQSOXVACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-8-6-10(8)11-4-2-9(20-11)3-5-12(18)17-19-7-13(14,15)16/h2,4,8,10H,3,5-7H2,1H3,(H,17,18).
What are the key properties of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide?
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 291.27 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81343521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).