CID 123795424

C9H11F5NO- — CID 123795424

IUPAC—
SMILES[CH2-]N(C(=O)C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C9H11F5NO/c1-15(7(16)9(12,13)14)6-2-4-8(10,11)5-3-6/h6H,1-5H2/q-1
InChIKeyHXRMRSJJQZCWAT-UHFFFAOYSA-N
MW244.18 g/mol
LogP2.75
Rot. Bonds1

About CID 123795424

CID 123795424 (PubChem CID 123795424) has the molecular formula C9H11F5NO- and a molecular weight of 244.18 g/mol.

Molecular Properties

Compound NameCID 123795424
PubChem CID123795424
Molecular FormulaC9H11F5NO-
Molecular Weight244.18 g/mol
Exact Mass244.08
IUPAC Name—
SMILES[CH2-]N(C(=O)C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C9H11F5NO/c1-15(7(16)9(12,13)14)6-2-4-8(10,11)5-3-6/h6H,1-5H2/q-1
InChIKeyHXRMRSJJQZCWAT-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123795424?
The IUPAC name of CID 123795424 (CID 123795424) is not available.
What is the SMILES notation for CID 123795424?
The canonical SMILES for CID 123795424 is [CH2-]N(C(=O)C(F)(F)F)C1CCC(F)(F)CC1.
What is the InChIKey of CID 123795424?
The InChIKey is HXRMRSJJQZCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5NO/c1-15(7(16)9(12,13)14)6-2-4-8(10,11)5-3-6/h6H,1-5H2/q-1.
What are the key properties of CID 123795424?
CID 123795424 has a molecular weight of 244.18 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123795424 is sourced from PubChem (CID 123795424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).