1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid

C12H20F3NO2 — CID 116536169

IUPAC1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid
SMILESCC(CCCC(F)(F)F)N1CCCCC1C(=O)O
InChIInChI=1S/C12H20F3NO2/c1-9(5-4-7-12(13,14)15)16-8-3-2-6-10(16)11(17)18/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyCGBZETMQSWSYKH-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.05
Rot. Bonds5

About 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid

1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid (PubChem CID 116536169) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid
PubChem CID116536169
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid
SMILESCC(CCCC(F)(F)F)N1CCCCC1C(=O)O
InChIInChI=1S/C12H20F3NO2/c1-9(5-4-7-12(13,14)15)16-8-3-2-6-10(16)11(17)18/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeyCGBZETMQSWSYKH-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-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

1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476
1-(6,6,6-trifluorohexan-2-yl)azetidine-3-carboxylic acid
CID 116536222
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
2-[1-(6,6,6-trifluorohexan-2-yl)piperidin-4-yl]acetic acid
CID 116536242
1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid
CID 18521539
1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
CID 115513976
1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
1-(1-cyclopropylpropyl)piperidine-2-carboxylic acid
CID 65054107
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971

Frequently Asked Questions

What is the IUPAC name of 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid (CID 116536169) is 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid is CC(CCCC(F)(F)F)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid?
The InChIKey is CGBZETMQSWSYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-9(5-4-7-12(13,14)15)16-8-3-2-6-10(16)11(17)18/h9-10H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid?
1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 116536169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).