CID 174085838

C8H11BF6OS — CID 174085838

IUPAC—
SMILES[B]C(C)(C)OC(F)(F)C(F)(SCC)C(F)(F)F
InChIInChI=1S/C8H11BF6OS/c1-4-17-6(10,7(11,12)13)8(14,15)16-5(2,3)9/h4H2,1-3H3
InChIKeyWTBPBWIHGXBWRY-UHFFFAOYSA-N
MW280.04 g/mol
LogP3.48
Rot. Bonds5

About CID 174085838

CID 174085838 (PubChem CID 174085838) has the molecular formula C8H11BF6OS and a molecular weight of 280.04 g/mol.

Molecular Properties

Compound NameCID 174085838
PubChem CID174085838
Molecular FormulaC8H11BF6OS
Molecular Weight280.04 g/mol
Exact Mass280.05
IUPAC Name—
SMILES[B]C(C)(C)OC(F)(F)C(F)(SCC)C(F)(F)F
InChIInChI=1S/C8H11BF6OS/c1-4-17-6(10,7(11,12)13)8(14,15)16-5(2,3)9/h4H2,1-3H3
InChIKeyWTBPBWIHGXBWRY-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.04
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174085838?
The IUPAC name of CID 174085838 (CID 174085838) is not available.
What is the SMILES notation for CID 174085838?
The canonical SMILES for CID 174085838 is [B]C(C)(C)OC(F)(F)C(F)(SCC)C(F)(F)F.
What is the InChIKey of CID 174085838?
The InChIKey is WTBPBWIHGXBWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BF6OS/c1-4-17-6(10,7(11,12)13)8(14,15)16-5(2,3)9/h4H2,1-3H3.
What are the key properties of CID 174085838?
CID 174085838 has a molecular weight of 280.04 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174085838 is sourced from PubChem (CID 174085838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).