CID 136671200

C7F5OSSe — CID 136671200

IUPAC—
SMILESFc1c(F)c(F)c(OC(=S)[Se])c(F)c1F
InChIInChI=1S/C7F5OSSe/c8-1-2(9)4(11)6(13-7(14)15)5(12)3(1)10
InChIKeyKYYKTEKHSYKYSE-UHFFFAOYSA-N
MW306.09 g/mol
LogP2.21
Rot. Bonds1

About CID 136671200

CID 136671200 (PubChem CID 136671200) has the molecular formula C7F5OSSe and a molecular weight of 306.09 g/mol.

Molecular Properties

Compound NameCID 136671200
PubChem CID136671200
Molecular FormulaC7F5OSSe
Molecular Weight306.09 g/mol
Exact Mass306.88
IUPAC Name—
SMILESFc1c(F)c(F)c(OC(=S)[Se])c(F)c1F
InChIInChI=1S/C7F5OSSe/c8-1-2(9)4(11)6(13-7(14)15)5(12)3(1)10
InChIKeyKYYKTEKHSYKYSE-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze CID 136671200 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

1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene
CID 154298039
O-(2,3,4,5,6-pentafluorophenyl) 2-methylbenzenecarbothioate
CID 87664200
1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene
CID 87818958
octadecoxy-(2,3,4,5,6-pentafluorophenoxy)methanethione
CID 15717577
(2,3,4,5,6-pentafluorophenyl) 2-chloroprop-2-enoate
CID 23163869
(2,3,4,5,6-pentafluorophenyl) 2-hydroxypropanoate
CID 117051226
2-methyl-3-(2,3,4,5,6-pentafluorophenoxy)propanethioamide
CID 43607868
bis(2,3,4,5,6-pentafluorophenyl) nonanedioate
CID 14938956
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
CID 130926131
(2,3,5,6-tetrafluoro-4-methoxyphenyl) 2,2-dimethylpropanoate
CID 130411288
bis(2,3,4,5,6-pentafluorophenyl) 2,2-diethylpropanedioate
CID 91734400
ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152

Frequently Asked Questions

What is the IUPAC name of CID 136671200?
The IUPAC name of CID 136671200 (CID 136671200) is not available.
What is the SMILES notation for CID 136671200?
The canonical SMILES for CID 136671200 is Fc1c(F)c(F)c(OC(=S)[Se])c(F)c1F.
What is the InChIKey of CID 136671200?
The InChIKey is KYYKTEKHSYKYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F5OSSe/c8-1-2(9)4(11)6(13-7(14)15)5(12)3(1)10.
What are the key properties of CID 136671200?
CID 136671200 has a molecular weight of 306.09 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136671200 is sourced from PubChem (CID 136671200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).