2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid

C12H16F3NO3 — CID 120976724

IUPAC2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)7-3-5-16(6-4-7)10(17)8-1-2-9(8)11(18)19/h7-9H,1-6H2,(H,18,19)
InChIKeyRZFLMEBHFVZSBC-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.90
Rot. Bonds2

About 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120976724) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120976724
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)7-3-5-16(6-4-7)10(17)8-1-2-9(8)11(18)19/h7-9H,1-6H2,(H,18,19)
InChIKeyRZFLMEBHFVZSBC-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120976724) is 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is RZFLMEBHFVZSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c13-12(14,15)7-3-5-16(6-4-7)10(17)8-1-2-9(8)11(18)19/h7-9H,1-6H2,(H,18,19).
What are the key properties of 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).