4-(trifluoromethyl)piperidine-1-carboxylic acid

C7H10F3NO2 — CID 22283359

IUPAC4-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-1-3-11(4-2-5)6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyUAKFJHMHFZHEFT-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.94
Rot. Bonds

About 4-(trifluoromethyl)piperidine-1-carboxylic acid

4-(trifluoromethyl)piperidine-1-carboxylic acid (PubChem CID 22283359) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)piperidine-1-carboxylic acid
PubChem CID22283359
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name4-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-1-3-11(4-2-5)6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyUAKFJHMHFZHEFT-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)piperidine-1-carboxylic acid (CID 22283359) is 4-(trifluoromethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)piperidine-1-carboxylic acid?
The InChIKey is UAKFJHMHFZHEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-1-3-11(4-2-5)6(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of 4-(trifluoromethyl)piperidine-1-carboxylic acid?
4-(trifluoromethyl)piperidine-1-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22283359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).