2-[2-(trifluoromethyl)piperidin-1-yl]ethanol

C8H14F3NO — CID 91031576

IUPAC2-[2-(trifluoromethyl)piperidin-1-yl]ethanol
SMILESOCCN1CCCCC1C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7-3-1-2-4-12(7)5-6-13/h7,13H,1-6H2
InChIKeyHJGWKENQJNTMNE-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.40
Rot. Bonds2

About 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol

2-[2-(trifluoromethyl)piperidin-1-yl]ethanol (PubChem CID 91031576) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)piperidin-1-yl]ethanol
PubChem CID91031576
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-[2-(trifluoromethyl)piperidin-1-yl]ethanol
SMILESOCCN1CCCCC1C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7-3-1-2-4-12(7)5-6-13/h7,13H,1-6H2
InChIKeyHJGWKENQJNTMNE-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-(Trifluoromethyl)-1-piperidineethanol
CID 566669
(5,5-Difluoro-1-methylpiperidin-2-yl)methanol
CID 55296927
(2S)-1,1,1-trifluoro-3-piperidin-1-ylpropan-2-ol
CID 11333070
(2S)-3,3,3-trifluoro-2-piperidin-1-ylpropan-1-ol
CID 135700155
2-(4,4-Difluoropiperidin-1-yl)ethan-1-ol
CID 17964029
2-(4-Fluoropiperidin-1-yl)ethanol
CID 17986113
[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]methanol
CID 60774899
[1-(2,2-Difluoroethyl)piperidin-2-yl]methanol
CID 62022333
(S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 90103509
3-(4,4-Difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 90103510
2-(3,3-Difluoropiperidin-1-yl)ethan-1-ol
CID 116991324
(4,4-Difluoro-1-methylpiperidin-2-YL)methanol
CID 117891667

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol (CID 91031576) is 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol is OCCN1CCCCC1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol?
The InChIKey is HJGWKENQJNTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)7-3-1-2-4-12(7)5-6-13/h7,13H,1-6H2.
What are the key properties of 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol?
2-[2-(trifluoromethyl)piperidin-1-yl]ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 91031576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).