1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide

C7H12F3NO4S — CID 82714351

IUPAC1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)5-15-11-16(12,13)4-6-2-1-3-14-6/h6,11H,1-5H2
InChIKeyKHUDDPDBNGEHTM-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.58
Rot. Bonds5

About 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide

1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide (PubChem CID 82714351) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
PubChem CID82714351
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c8-7(9,10)5-15-11-16(12,13)4-6-2-1-3-14-6/h6,11H,1-5H2
InChIKeyKHUDDPDBNGEHTM-UHFFFAOYSA-N
XLogP0.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide (CID 82714351) is 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide is O=S(=O)(CC1CCCO1)NOCC(F)(F)F.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The InChIKey is KHUDDPDBNGEHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c8-7(9,10)5-15-11-16(12,13)4-6-2-1-3-14-6/h6,11H,1-5H2.
What are the key properties of 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide has a molecular weight of 263.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide is sourced from PubChem (CID 82714351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).