CID 57417136

C7H6F — CID 57417136

IUPAC—
SMILESCc1[c]cccc1F
InChIInChI=1S/C7H6F/c1-6-4-2-3-5-7(6)8/h2-3,5H,1H3
InChIKeyFSQMHSXEEJXTJJ-UHFFFAOYSA-N
MW109.12 g/mol
LogP1.93
Rot. Bonds

About CID 57417136

CID 57417136 (PubChem CID 57417136) has the molecular formula C7H6F and a molecular weight of 109.12 g/mol.

Molecular Properties

Compound NameCID 57417136
PubChem CID57417136
Molecular FormulaC7H6F
Molecular Weight109.12 g/mol
Exact Mass109.05
IUPAC Name—
SMILESCc1[c]cccc1F
InChIInChI=1S/C7H6F/c1-6-4-2-3-5-7(6)8/h2-3,5H,1H3
InChIKeyFSQMHSXEEJXTJJ-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 57417136 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 57417136?
The IUPAC name of CID 57417136 (CID 57417136) is not available.
What is the SMILES notation for CID 57417136?
The canonical SMILES for CID 57417136 is Cc1[c]cccc1F.
What is the InChIKey of CID 57417136?
The InChIKey is FSQMHSXEEJXTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F/c1-6-4-2-3-5-7(6)8/h2-3,5H,1H3.
What are the key properties of CID 57417136?
CID 57417136 has a molecular weight of 109.12 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57417136 is sourced from PubChem (CID 57417136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).