CID 176652156

C10H12BF3NO2 — CID 176652156

IUPAC—
SMILESCN(C)Cc1ccc(O[B]O)cc1C(F)(F)F
InChIInChI=1S/C10H12BF3NO2/c1-15(2)6-7-3-4-8(17-11-16)5-9(7)10(12,13)14/h3-5,16H,6H2,1-2H3
InChIKeyMWVQPBSSTJBKFV-UHFFFAOYSA-N
MW246.02 g/mol
LogP1.67
Rot. Bonds4

About CID 176652156

CID 176652156 (PubChem CID 176652156) has the molecular formula C10H12BF3NO2 and a molecular weight of 246.02 g/mol.

Molecular Properties

Compound NameCID 176652156
PubChem CID176652156
Molecular FormulaC10H12BF3NO2
Molecular Weight246.02 g/mol
Exact Mass246.09
IUPAC Name—
SMILESCN(C)Cc1ccc(O[B]O)cc1C(F)(F)F
InChIInChI=1S/C10H12BF3NO2/c1-15(2)6-7-3-4-8(17-11-16)5-9(7)10(12,13)14/h3-5,16H,6H2,1-2H3
InChIKeyMWVQPBSSTJBKFV-UHFFFAOYSA-N
XLogP1.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 176652156 with MolForge

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

Launch Full Analysis

Related Compounds

CID 140844480
CID 140844480
4-[(dimethylamino)methyl]-3-(trifluoromethyl)benzoic acid
CID 68848835
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
[4-methoxy-2-(trifluoromethyl)phenyl]methanethiol
CID 162580315
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol
CID 88565476
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
CID 171771019
CID 171771019
[4-[4-(iodomethyl)-3-(trifluoromethyl)phenoxy]phenyl]boronic acid
CID 89276218
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
3-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-1,5-dihydro-1,2,4-triazin-6-one
CID 154663873
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline
CID 79679748

Frequently Asked Questions

What is the IUPAC name of CID 176652156?
The IUPAC name of CID 176652156 (CID 176652156) is not available.
What is the SMILES notation for CID 176652156?
The canonical SMILES for CID 176652156 is CN(C)Cc1ccc(O[B]O)cc1C(F)(F)F.
What is the InChIKey of CID 176652156?
The InChIKey is MWVQPBSSTJBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BF3NO2/c1-15(2)6-7-3-4-8(17-11-16)5-9(7)10(12,13)14/h3-5,16H,6H2,1-2H3.
What are the key properties of CID 176652156?
CID 176652156 has a molecular weight of 246.02 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176652156 is sourced from PubChem (CID 176652156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).