CID 123713219

C9H3B3Cl2F4 — CID 123713219

IUPAC—
SMILES[B]C([B])([B])C(F)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H3B3Cl2F4/c10-8(11,12)7(15,9(16,17)18)4-1-5(13)3-6(14)2-4/h1-3H
InChIKeyHSAXSHPYONXUDU-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.30
Rot. Bonds2

About CID 123713219

CID 123713219 (PubChem CID 123713219) has the molecular formula C9H3B3Cl2F4 and a molecular weight of 290.46 g/mol.

Molecular Properties

Compound NameCID 123713219
PubChem CID123713219
Molecular FormulaC9H3B3Cl2F4
Molecular Weight290.46 g/mol
Exact Mass289.98
IUPAC Name—
SMILES[B]C([B])([B])C(F)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H3B3Cl2F4/c10-8(11,12)7(15,9(16,17)18)4-1-5(13)3-6(14)2-4/h1-3H
InChIKeyHSAXSHPYONXUDU-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
3-chloro-5-(trifluoromethyl)benzenediazonium
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2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950177
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluorobut-3-yn-2-ol
CID 89415630
2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride
CID 118065074
(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol
CID 118988141
1,3-dichloro-5-(1,1,1-trifluoro-2-methoxypent-4-en-2-yl)benzene
CID 90860249
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
sulfane;1,3,5-trichlorobenzene
CID 174951805
methane;tris(1,3,5-trichlorobenzene)
CID 175444750
2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde
CID 118065573

Frequently Asked Questions

What is the IUPAC name of CID 123713219?
The IUPAC name of CID 123713219 (CID 123713219) is not available.
What is the SMILES notation for CID 123713219?
The canonical SMILES for CID 123713219 is [B]C([B])([B])C(F)(c1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of CID 123713219?
The InChIKey is HSAXSHPYONXUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3B3Cl2F4/c10-8(11,12)7(15,9(16,17)18)4-1-5(13)3-6(14)2-4/h1-3H.
What are the key properties of CID 123713219?
CID 123713219 has a molecular weight of 290.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123713219 is sourced from PubChem (CID 123713219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).