2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid

C16H28F3NO4S — CID 19604992

IUPAC2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid
SMILESO=C(O)C(CCCCCCCCNS(=O)(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C16H28F3NO4S/c17-16(18,19)25(23,24)20-12-8-4-2-1-3-5-11-14(15(21)22)13-9-6-7-10-13/h13-14,20H,1-12H2,(H,21,22)
InChIKeyQIJFGHFJFJBBHG-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.05
Rot. Bonds12

About 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid

2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid (PubChem CID 19604992) has the molecular formula C16H28F3NO4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid
PubChem CID19604992
Molecular FormulaC16H28F3NO4S
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid
SMILESO=C(O)C(CCCCCCCCNS(=O)(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C16H28F3NO4S/c17-16(18,19)25(23,24)20-12-8-4-2-1-3-5-11-14(15(21)22)13-9-6-7-10-13/h13-14,20H,1-12H2,(H,21,22)
InChIKeyQIJFGHFJFJBBHG-UHFFFAOYSA-N
XLogP4.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid?
The IUPAC name of 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid (CID 19604992) is 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid.
What is the SMILES notation for 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid?
The canonical SMILES for 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid is O=C(O)C(CCCCCCCCNS(=O)(=O)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid?
The InChIKey is QIJFGHFJFJBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO4S/c17-16(18,19)25(23,24)20-12-8-4-2-1-3-5-11-14(15(21)22)13-9-6-7-10-13/h13-14,20H,1-12H2,(H,21,22).
What are the key properties of 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid?
2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid has a molecular weight of 387.46 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-10-(trifluoromethylsulfonylamino)decanoic acid is sourced from PubChem (CID 19604992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).