CID 174456969

C13HAsF8 — CID 174456969

IUPAC—
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2[As]
InChIInChI=1S/C13HAsF8/c14-5-3-1(6(15)10(19)12(21)8(3)17)2-4(5)9(18)13(22)11(20)7(2)16/h5H
InChIKeyTXGRHJDIPRZKFC-UHFFFAOYSA-N
MW384.06 g/mol
LogP4.04
Rot. Bonds

About CID 174456969

CID 174456969 (PubChem CID 174456969) has the molecular formula C13HAsF8 and a molecular weight of 384.06 g/mol.

Molecular Properties

Compound NameCID 174456969
PubChem CID174456969
Molecular FormulaC13HAsF8
Molecular Weight384.06 g/mol
Exact Mass383.92
IUPAC Name—
SMILESFc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2[As]
InChIInChI=1S/C13HAsF8/c14-5-3-1(6(15)10(19)12(21)8(3)17)2-4(5)9(18)13(22)11(20)7(2)16/h5H
InChIKeyTXGRHJDIPRZKFC-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.06
LogP ≤ 54.04
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 174456969?
The IUPAC name of CID 174456969 (CID 174456969) is not available.
What is the SMILES notation for CID 174456969?
The canonical SMILES for CID 174456969 is Fc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2[As].
What is the InChIKey of CID 174456969?
The InChIKey is TXGRHJDIPRZKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13HAsF8/c14-5-3-1(6(15)10(19)12(21)8(3)17)2-4(5)9(18)13(22)11(20)7(2)16/h5H.
What are the key properties of CID 174456969?
CID 174456969 has a molecular weight of 384.06 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174456969 is sourced from PubChem (CID 174456969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).