CID 153289998

C7H3BiF2O2 — CID 153289998

IUPAC—
SMILESO=C(O[Bi])c1c(F)cccc1F
InChIInChI=1S/C7H4F2O2.Bi/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyLBNMNCWAWRVBDK-UHFFFAOYSA-M
MW366.08 g/mol
LogP1.21
Rot. Bonds1

About CID 153289998

CID 153289998 (PubChem CID 153289998) has the molecular formula C7H3BiF2O2 and a molecular weight of 366.08 g/mol.

Molecular Properties

Compound NameCID 153289998
PubChem CID153289998
Molecular FormulaC7H3BiF2O2
Molecular Weight366.08 g/mol
Exact Mass365.99
IUPAC Name—
SMILESO=C(O[Bi])c1c(F)cccc1F
InChIInChI=1S/C7H4F2O2.Bi/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyLBNMNCWAWRVBDK-UHFFFAOYSA-M
XLogP1.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 153289998 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbamoyl 2,6-difluorobenzoate
CID 175511176
ethyl 2,6-difluorobenzoate
CID 519631
2,2,2-trifluoroethyl 2,6-difluorobenzoate
CID 22149750
2-methylpropyl 2,6-difluorobenzoate
CID 587969
methyl 2,6-difluorobenzoate;tricosane
CID 174987111
CID 161042703
CID 161042703
2-(2,6-difluorobenzoyl)oxyethanesulfonic acid
CID 129061837
(4-cyanophenyl) 2,6-difluorobenzoate
CID 532326
3-cyanopropyl 2,6-difluorobenzoate
CID 132538638
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
2-fluoro-6-hydroxybenzamide
CID 15219200
[2-(tert-butylamino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515239

Frequently Asked Questions

What is the IUPAC name of CID 153289998?
The IUPAC name of CID 153289998 (CID 153289998) is not available.
What is the SMILES notation for CID 153289998?
The canonical SMILES for CID 153289998 is O=C(O[Bi])c1c(F)cccc1F.
What is the InChIKey of CID 153289998?
The InChIKey is LBNMNCWAWRVBDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F2O2.Bi/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1.
What are the key properties of CID 153289998?
CID 153289998 has a molecular weight of 366.08 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153289998 is sourced from PubChem (CID 153289998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).