2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide

C9H16F3NO4S — CID 146494414

IUPAC2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide
SMILESCC(C)OCCCCS(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO4S/c1-7(2)17-5-3-4-6-18(15,16)13-8(14)9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyQXEMVSSQHSAXJR-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.20
Rot. Bonds7

About 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide

2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide (PubChem CID 146494414) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide
PubChem CID146494414
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide
SMILESCC(C)OCCCCS(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO4S/c1-7(2)17-5-3-4-6-18(15,16)13-8(14)9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyQXEMVSSQHSAXJR-UHFFFAOYSA-N
XLogP1.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide (CID 146494414) is 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide is CC(C)OCCCCS(=O)(=O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide?
The InChIKey is QXEMVSSQHSAXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c1-7(2)17-5-3-4-6-18(15,16)13-8(14)9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide?
2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide has a molecular weight of 291.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide is sourced from PubChem (CID 146494414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).