CID 177410722

C8H7ClFN — CID 177410722

IUPAC—
SMILESCN([C]Cl)c1ccc(F)cc1
InChIInChI=1S/C8H7ClFN/c1-11(6-9)8-4-2-7(10)3-5-8/h2-5H,1H3
InChIKeyCELYXPPKLNIJAQ-UHFFFAOYSA-N
MW171.60 g/mol
LogP2.50
Rot. Bonds2

About CID 177410722

CID 177410722 (PubChem CID 177410722) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol.

Molecular Properties

Compound NameCID 177410722
PubChem CID177410722
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name—
SMILESCN([C]Cl)c1ccc(F)cc1
InChIInChI=1S/C8H7ClFN/c1-11(6-9)8-4-2-7(10)3-5-8/h2-5H,1H3
InChIKeyCELYXPPKLNIJAQ-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177410722?
The IUPAC name of CID 177410722 (CID 177410722) is not available.
What is the SMILES notation for CID 177410722?
The canonical SMILES for CID 177410722 is CN([C]Cl)c1ccc(F)cc1.
What is the InChIKey of CID 177410722?
The InChIKey is CELYXPPKLNIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN/c1-11(6-9)8-4-2-7(10)3-5-8/h2-5H,1H3.
What are the key properties of CID 177410722?
CID 177410722 has a molecular weight of 171.60 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177410722 is sourced from PubChem (CID 177410722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).