3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid

C8H12F3NO3 — CID 105484350

IUPAC3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CNC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)12-4-7(15)2-1-5(3-7)6(13)14/h5,12,15H,1-4H2,(H,13,14)
InChIKeyDXEYWASVMVHWDW-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.71
Rot. Bonds3

About 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid

3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 105484350) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID105484350
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CNC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)12-4-7(15)2-1-5(3-7)6(13)14/h5,12,15H,1-4H2,(H,13,14)
InChIKeyDXEYWASVMVHWDW-UHFFFAOYSA-N
XLogP0.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid 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

4-hydroxy-4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106190822
3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 83915930
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106498919
4-[[1-(dimethylamino)propan-2-ylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499668
4-[(3,5-difluoroanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499058
3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105455445
4-(ethylsulfonylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498315
4-hydroxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106149108
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499440
4-[[(4-amino-4-oxobutyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499157

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid (CID 105484350) is 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(O)(CNC(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is DXEYWASVMVHWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)12-4-7(15)2-1-5(3-7)6(13)14/h5,12,15H,1-4H2,(H,13,14).
What are the key properties of 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid?
3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 227.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[(trifluoromethylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105484350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).