CID 89201913

C14H8BF7 — CID 89201913

IUPAC—
SMILES[B]C(C)(CC)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C14H8BF7/c1-3-14(2,15)6-7(16)4-5(8(17)11(6)20)10(19)13(22)12(21)9(4)18/h3H2,1-2H3
InChIKeyHZZTUKUWGPBCMG-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.61
Rot. Bonds2

About CID 89201913

CID 89201913 (PubChem CID 89201913) has the molecular formula C14H8BF7 and a molecular weight of 320.02 g/mol.

Molecular Properties

Compound NameCID 89201913
PubChem CID89201913
Molecular FormulaC14H8BF7
Molecular Weight320.02 g/mol
Exact Mass320.06
IUPAC Name—
SMILES[B]C(C)(CC)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChIInChI=1S/C14H8BF7/c1-3-14(2,15)6-7(16)4-5(8(17)11(6)20)10(19)13(22)12(21)9(4)18/h3H2,1-2H3
InChIKeyHZZTUKUWGPBCMG-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of CID 89201913?
The IUPAC name of CID 89201913 (CID 89201913) is not available.
What is the SMILES notation for CID 89201913?
The canonical SMILES for CID 89201913 is [B]C(C)(CC)c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F.
What is the InChIKey of CID 89201913?
The InChIKey is HZZTUKUWGPBCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BF7/c1-3-14(2,15)6-7(16)4-5(8(17)11(6)20)10(19)13(22)12(21)9(4)18/h3H2,1-2H3.
What are the key properties of CID 89201913?
CID 89201913 has a molecular weight of 320.02 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89201913 is sourced from PubChem (CID 89201913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).