CID 58403477

C5H6FO2Y- — CID 58403477

IUPAC—
SMILESCC1CO[C-]=C(F)O1.[Y]
InChIInChI=1S/C5H6FO2.Y/c1-4-2-7-3-5(6)8-4;/h4H,2H2,1H3;/q-1;
InChIKeyMBHOEMSDKPMRQZ-UHFFFAOYSA-N
MW206.00 g/mol
LogP0.99
Rot. Bonds

About CID 58403477

CID 58403477 (PubChem CID 58403477) has the molecular formula C5H6FO2Y- and a molecular weight of 206.00 g/mol.

Molecular Properties

Compound NameCID 58403477
PubChem CID58403477
Molecular FormulaC5H6FO2Y-
Molecular Weight206.00 g/mol
Exact Mass205.94
IUPAC Name—
SMILESCC1CO[C-]=C(F)O1.[Y]
InChIInChI=1S/C5H6FO2.Y/c1-4-2-7-3-5(6)8-4;/h4H,2H2,1H3;/q-1;
InChIKeyMBHOEMSDKPMRQZ-UHFFFAOYSA-N
XLogP0.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.00
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 58403477?
The IUPAC name of CID 58403477 (CID 58403477) is not available.
What is the SMILES notation for CID 58403477?
The canonical SMILES for CID 58403477 is CC1CO[C-]=C(F)O1.[Y].
What is the InChIKey of CID 58403477?
The InChIKey is MBHOEMSDKPMRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FO2.Y/c1-4-2-7-3-5(6)8-4;/h4H,2H2,1H3;/q-1;.
What are the key properties of CID 58403477?
CID 58403477 has a molecular weight of 206.00 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58403477 is sourced from PubChem (CID 58403477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).