[1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol

C9H17F3N2O — CID 102777672

IUPAC[1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(C(CN)C(F)(F)F)C1CO
InChIInChI=1S/C9H17F3N2O/c1-6-2-3-14(7(6)5-15)8(4-13)9(10,11)12/h6-8,15H,2-5,13H2,1H3
InChIKeyJNLFZNNDUVHJEM-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds3

About [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777672) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777672
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(C(CN)C(F)(F)F)C1CO
InChIInChI=1S/C9H17F3N2O/c1-6-2-3-14(7(6)5-15)8(4-13)9(10,11)12/h6-8,15H,2-5,13H2,1H3
InChIKeyJNLFZNNDUVHJEM-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
4-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 137489575
(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
CID 137496274
[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
[(2R)-4,4-difluoro-1-(3-methylbutan-2-yl)pyrrolidin-2-yl]methanol
CID 146286428
2-[Methyl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334324
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
2-[Propan-2-yl-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176600978
2-[Propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176601977
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
CID 61407662
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
CID 61407665
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
CID 61648296

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102777672) is [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(C(CN)C(F)(F)F)C1CO.
What is the InChIKey of [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is JNLFZNNDUVHJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6-2-3-14(7(6)5-15)8(4-13)9(10,11)12/h6-8,15H,2-5,13H2,1H3.
What are the key properties of [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).