CID 149240889

C13H13BF3NO2 — CID 149240889

IUPAC—
SMILES[B]c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H13BF3NO2/c14-10-2-1-9(13(15,16)17)7-11(10)18-5-3-8(4-6-18)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)
InChIKeyJPPFGZMSLDVUQD-UHFFFAOYSA-N
MW283.06 g/mol
LogP1.80
Rot. Bonds2

About CID 149240889

CID 149240889 (PubChem CID 149240889) has the molecular formula C13H13BF3NO2 and a molecular weight of 283.06 g/mol.

Molecular Properties

Compound NameCID 149240889
PubChem CID149240889
Molecular FormulaC13H13BF3NO2
Molecular Weight283.06 g/mol
Exact Mass283.10
IUPAC Name—
SMILES[B]c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H13BF3NO2/c14-10-2-1-9(13(15,16)17)7-11(10)18-5-3-8(4-6-18)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)
InChIKeyJPPFGZMSLDVUQD-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 149240889 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

methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187262
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
CID 135116153
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
1-[2-(7-methylnonan-4-yl)-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 155199266
1-[2-[1-(1-cyclopentylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 155199171
ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320
1-[2-nitro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylic acid
CID 119166123
1-[2-[1-[(3R)-1-tert-butyl-3-fluoropyrrolidine-3-carbonyl]azetidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 130195478
2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72699038
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
1-[2-[1-[(3S)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 144968486
tert-butyl 1-[2-[(Z)-3-methoxy-3-oxoprop-1-enyl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 118551044

Frequently Asked Questions

What is the IUPAC name of CID 149240889?
The IUPAC name of CID 149240889 (CID 149240889) is not available.
What is the SMILES notation for CID 149240889?
The canonical SMILES for CID 149240889 is [B]c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1.
What is the InChIKey of CID 149240889?
The InChIKey is JPPFGZMSLDVUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BF3NO2/c14-10-2-1-9(13(15,16)17)7-11(10)18-5-3-8(4-6-18)12(19)20/h1-2,7-8H,3-6H2,(H,19,20).
What are the key properties of CID 149240889?
CID 149240889 has a molecular weight of 283.06 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149240889 is sourced from PubChem (CID 149240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).