CID 157177640

C13H18FNO2 — CID 157177640

IUPAC—
SMILESC.CC(C)Oc1ccc2[nH]c(=O)ccc2c1.[3H]F
InChIInChI=1S/C12H13NO2.CH4.FH/c1-8(2)15-10-4-5-11-9(7-10)3-6-12(14)13-11;;/h3-8H,1-2H3,(H,13,14);1H4;1H/i/hT
InChIKeyAOEVWNJHLYHIDB-MNYXATJNSA-N
MW241.30 g/mol
LogP3.10
Rot. Bonds2

About CID 157177640

CID 157177640 (PubChem CID 157177640) has the molecular formula C13H18FNO2 and a molecular weight of 241.30 g/mol.

Molecular Properties

Compound NameCID 157177640
PubChem CID157177640
Molecular FormulaC13H18FNO2
Molecular Weight241.30 g/mol
Exact Mass241.14
IUPAC Name—
SMILESC.CC(C)Oc1ccc2[nH]c(=O)ccc2c1.[3H]F
InChIInChI=1S/C12H13NO2.CH4.FH/c1-8(2)15-10-4-5-11-9(7-10)3-6-12(14)13-11;;/h3-8H,1-2H3,(H,13,14);1H4;1H/i/hT
InChIKeyAOEVWNJHLYHIDB-MNYXATJNSA-N
XLogP3.10
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 157177640 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 157177640?
The IUPAC name of CID 157177640 (CID 157177640) is not available.
What is the SMILES notation for CID 157177640?
The canonical SMILES for CID 157177640 is C.CC(C)Oc1ccc2[nH]c(=O)ccc2c1.[3H]F.
What is the InChIKey of CID 157177640?
The InChIKey is AOEVWNJHLYHIDB-MNYXATJNSA-N. The full InChI is InChI=1S/C12H13NO2.CH4.FH/c1-8(2)15-10-4-5-11-9(7-10)3-6-12(14)13-11;;/h3-8H,1-2H3,(H,13,14);1H4;1H/i/hT.
What are the key properties of CID 157177640?
CID 157177640 has a molecular weight of 241.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157177640 is sourced from PubChem (CID 157177640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).