CID 59592159

C11H17FO3 — CID 59592159

IUPAC—
SMILES[CH]OC(C)CC(CF)OCC(=O)C(=C)C
InChIInChI=1S/C11H17FO3/c1-8(2)11(13)7-15-10(6-12)5-9(3)14-4/h4,9-10H,1,5-7H2,2-3H3
InChIKeyCALVPGGPBWILAV-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.95
Rot. Bonds8

About CID 59592159

CID 59592159 (PubChem CID 59592159) has the molecular formula C11H17FO3 and a molecular weight of 216.25 g/mol.

Molecular Properties

Compound NameCID 59592159
PubChem CID59592159
Molecular FormulaC11H17FO3
Molecular Weight216.25 g/mol
Exact Mass216.12
IUPAC Name—
SMILES[CH]OC(C)CC(CF)OCC(=O)C(=C)C
InChIInChI=1S/C11H17FO3/c1-8(2)11(13)7-15-10(6-12)5-9(3)14-4/h4,9-10H,1,5-7H2,2-3H3
InChIKeyCALVPGGPBWILAV-UHFFFAOYSA-N
XLogP1.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59592159?
The IUPAC name of CID 59592159 (CID 59592159) is not available.
What is the SMILES notation for CID 59592159?
The canonical SMILES for CID 59592159 is [CH]OC(C)CC(CF)OCC(=O)C(=C)C.
What is the InChIKey of CID 59592159?
The InChIKey is CALVPGGPBWILAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO3/c1-8(2)11(13)7-15-10(6-12)5-9(3)14-4/h4,9-10H,1,5-7H2,2-3H3.
What are the key properties of CID 59592159?
CID 59592159 has a molecular weight of 216.25 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59592159 is sourced from PubChem (CID 59592159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).