1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide

C9H10F3NO3S — CID 101229345

IUPAC1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-3-6-13(8-5-4-7(2)16-8)17(14,15)9(10,11)12/h3-5H,1,6H2,2H3
InChIKeyKRKDSIOQLJHUGO-UHFFFAOYSA-N
MW269.24 g/mol
LogP2.43
Rot. Bonds4

About 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide

1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide (PubChem CID 101229345) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide
PubChem CID101229345
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-3-6-13(8-5-4-7(2)16-8)17(14,15)9(10,11)12/h3-5H,1,6H2,2H3
InChIKeyKRKDSIOQLJHUGO-UHFFFAOYSA-N
XLogP2.43
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide (CID 101229345) is 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide is C=CCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is KRKDSIOQLJHUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-3-6-13(8-5-4-7(2)16-8)17(14,15)9(10,11)12/h3-5H,1,6H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide?
1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 101229345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).