CID 174000853

C6HB4F — CID 174000853

IUPAC—
SMILES[B]c1cc([B])c([B])c(F)c1[B]
InChIInChI=1S/C6HB4F/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyZXVDOMPHUCTDNS-UHFFFAOYSA-N
MW135.32 g/mol
LogP-3.00
Rot. Bonds

About CID 174000853

CID 174000853 (PubChem CID 174000853) has the molecular formula C6HB4F and a molecular weight of 135.32 g/mol.

Molecular Properties

Compound NameCID 174000853
PubChem CID174000853
Molecular FormulaC6HB4F
Molecular Weight135.32 g/mol
Exact Mass136.04
IUPAC Name—
SMILES[B]c1cc([B])c([B])c(F)c1[B]
InChIInChI=1S/C6HB4F/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyZXVDOMPHUCTDNS-UHFFFAOYSA-N
XLogP-3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.32
LogP ≤ 5-3.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 174000853?
The IUPAC name of CID 174000853 (CID 174000853) is not available.
What is the SMILES notation for CID 174000853?
The canonical SMILES for CID 174000853 is [B]c1cc([B])c([B])c(F)c1[B].
What is the InChIKey of CID 174000853?
The InChIKey is ZXVDOMPHUCTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HB4F/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of CID 174000853?
CID 174000853 has a molecular weight of 135.32 g/mol, XLogP of -3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174000853 is sourced from PubChem (CID 174000853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).