CID 101139091

C6F4I — CID 101139091

IUPAC—
SMILESFc1[c]c(F)c(F)c(I)c1F
InChIInChI=1S/C6F4I/c7-2-1-3(8)5(10)6(11)4(2)9
InChIKeyUPSVHVHUEKKXDV-UHFFFAOYSA-N
MW274.96 g/mol
LogP2.65
Rot. Bonds

About CID 101139091

CID 101139091 (PubChem CID 101139091) has the molecular formula C6F4I and a molecular weight of 274.96 g/mol.

Molecular Properties

Compound NameCID 101139091
PubChem CID101139091
Molecular FormulaC6F4I
Molecular Weight274.96 g/mol
Exact Mass274.90
IUPAC Name—
SMILESFc1[c]c(F)c(F)c(I)c1F
InChIInChI=1S/C6F4I/c7-2-1-3(8)5(10)6(11)4(2)9
InChIKeyUPSVHVHUEKKXDV-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.96
LogP ≤ 52.65
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101139091?
The IUPAC name of CID 101139091 (CID 101139091) is not available.
What is the SMILES notation for CID 101139091?
The canonical SMILES for CID 101139091 is Fc1[c]c(F)c(F)c(I)c1F.
What is the InChIKey of CID 101139091?
The InChIKey is UPSVHVHUEKKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4I/c7-2-1-3(8)5(10)6(11)4(2)9.
What are the key properties of CID 101139091?
CID 101139091 has a molecular weight of 274.96 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101139091 is sourced from PubChem (CID 101139091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).