CID 174544665

C6H3ClFI — CID 174544665

IUPAC—
SMILESC1=CC2=C(C=C21)Cl.FI
InChIInChI=1S/C6H3Cl.FI/c7-6-3-4-1-2-5(4)6;1-2/h1-3H;
InChIKeyNCRZWZBFXMYQEW-UHFFFAOYSA-N
MW256.44 g/mol
LogP—
Rot. Bonds

About CID 174544665

CID 174544665 (PubChem CID 174544665) has the molecular formula C6H3ClFI and a molecular weight of 256.44 g/mol.

Molecular Properties

Compound NameCID 174544665
PubChem CID174544665
Molecular FormulaC6H3ClFI
Molecular Weight256.44 g/mol
Exact Mass255.90
IUPAC Name—
SMILESC1=CC2=C(C=C21)Cl.FI
InChIInChI=1S/C6H3Cl.FI/c7-6-3-4-1-2-5(4)6;1-2/h1-3H;
InChIKeyNCRZWZBFXMYQEW-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity92

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174544665?
The IUPAC name of CID 174544665 (CID 174544665) is not available.
What is the SMILES notation for CID 174544665?
The canonical SMILES for CID 174544665 is C1=CC2=C(C=C21)Cl.FI.
What is the InChIKey of CID 174544665?
The InChIKey is NCRZWZBFXMYQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl.FI/c7-6-3-4-1-2-5(4)6;1-2/h1-3H;.
What are the key properties of CID 174544665?
CID 174544665 has a molecular weight of 256.44 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174544665 is sourced from PubChem (CID 174544665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).