2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid

C8H12F3NO2 — CID 60712638

IUPAC2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-2-1-3-12(4-6)5-7(13)14/h6H,1-5H2,(H,13,14)
InChIKeySRTWQWSKCXLYBS-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.35
Rot. Bonds2

About 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid

2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid (PubChem CID 60712638) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid
PubChem CID60712638
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-2-1-3-12(4-6)5-7(13)14/h6H,1-5H2,(H,13,14)
InChIKeySRTWQWSKCXLYBS-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid (CID 60712638) is 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid?
The InChIKey is SRTWQWSKCXLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)6-2-1-3-12(4-6)5-7(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid?
2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid has a molecular weight of 211.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 60712638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).