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

C11H14F3NO3 — CID 54936613

IUPAC2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)6-2-1-3-15(5-6)9(16)7-4-8(7)10(17)18/h6-8H,1-5H2,(H,17,18)
InChIKeyBVVPLVNCZQDVMH-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.51
Rot. Bonds2

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

2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 54936613) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID54936613
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)6-2-1-3-15(5-6)9(16)7-4-8(7)10(17)18/h6-8H,1-5H2,(H,17,18)
InChIKeyBVVPLVNCZQDVMH-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.51
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]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 54936613) is 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is BVVPLVNCZQDVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)6-2-1-3-15(5-6)9(16)7-4-8(7)10(17)18/h6-8H,1-5H2,(H,17,18).
What are the key properties of 2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.51, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54936613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).