2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C14H20F3NO3 — CID 60662861

IUPAC2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)9-4-3-7-18(8-9)12(19)10-5-1-2-6-11(10)13(20)21/h9-11H,1-8H2,(H,20,21)
InChIKeyPBWHZPQLJDXKFY-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.68
Rot. Bonds2

About 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 60662861) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID60662861
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)9-4-3-7-18(8-9)12(19)10-5-1-2-6-11(10)13(20)21/h9-11H,1-8H2,(H,20,21)
InChIKeyPBWHZPQLJDXKFY-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 60662861) is 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is PBWHZPQLJDXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)9-4-3-7-18(8-9)12(19)10-5-1-2-6-11(10)13(20)21/h9-11H,1-8H2,(H,20,21).
What are the key properties of 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60662861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).