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

C8H12F3NO2 — CID 124508584

IUPAC2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@H](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)/t6-/m0/s1
InChIKeySRTWQWSKCXLYBS-LURJTMIESA-N
MW211.18 g/mol
LogP1.35
Rot. Bonds2

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

2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid (PubChem CID 124508584) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid
PubChem CID124508584
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@H](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)/t6-/m0/s1
InChIKeySRTWQWSKCXLYBS-LURJTMIESA-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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Related Compounds

2-(4-Methylpiperidin-1-yl)acetic acid
CID 3153128
2-(4-(Trifluoromethyl)piperidin-1-yl)acetic acid
CID 65536486
2-[4-(Trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride
CID 71757984
(3-Methylpiperidin-1-yl)acetic acid
CID 3163244
2-[2-Oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid
CID 136576052
2-(3-(Trifluoromethyl)piperidin-1-yl)acetic acid
CID 60712638
2-Oxo-2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid
CID 65530469
2-Piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
CID 70060753
2-(4-Fluoropiperidin-1-yl)acetic acid
CID 73554114
2-(4,4-Difluoropiperidin-1-yl)acetic acid
CID 84614619
2-(3,3-Difluoropiperidin-1-yl)acetic acid
CID 115015303
Fluoro 2,2-difluoro-2-piperidin-1-ylacetate
CID 118679476

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid (CID 124508584) is 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid?
The InChIKey is SRTWQWSKCXLYBS-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid?
2-[(3S)-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-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 124508584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).