[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol

C8H14F3NO — CID 102787854

IUPAC[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CC(F)(F)F)C1CO
InChIInChI=1S/C8H14F3NO/c1-6-2-3-12(7(6)4-13)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyHTXUEFAOPCJIST-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds2

About [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol (PubChem CID 102787854) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
PubChem CID102787854
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CC(F)(F)F)C1CO
InChIInChI=1S/C8H14F3NO/c1-6-2-3-12(7(6)4-13)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyHTXUEFAOPCJIST-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 102789651
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 129434738
(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660589
[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788257
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
CID 102786734
[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789630
[1-(2,2-diethoxyethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102782497
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol (CID 102787854) is [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol is CC1CCN(CC(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
The InChIKey is HTXUEFAOPCJIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6-2-3-12(7(6)4-13)5-8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).