1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol

C8H15F3N2O2 — CID 106667814

IUPAC1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
SMILESCC(N)C(N1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-4(12)7(8(9,10)11)13-2-5(14)6(15)3-13/h4-7,14-15H,2-3,12H2,1H3
InChIKeyJSNFXPZBCASYSL-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.70
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol

1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol (PubChem CID 106667814) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
PubChem CID106667814
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
SMILESCC(N)C(N1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-4(12)7(8(9,10)11)13-2-5(14)6(15)3-13/h4-7,14-15H,2-3,12H2,1H3
InChIKeyJSNFXPZBCASYSL-UHFFFAOYSA-N
XLogP-0.70
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 66055561
4-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706288
1-(1,1,1-Trifluoropropan-2-yl)pyrrolidine-3,4-diol
CID 117709650
4-Amino-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 117709673
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 172335386
2-[[Methyl-[2-(trifluoromethoxy)ethyl]amino]methyl]pyrrolidin-3-ol
CID 172335460
1-(2-Aminoethyl)-4,4-difluoropyrrolidin-3-ol
CID 176241913
1-[(3-Amino-1,1,1-trifluoropropan-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 61579923
1-[(3-Amino-1,1,1-trifluorobutan-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 61648153
1-[(3-Amino-1,1,1-trifluoropentan-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 61648202
1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 62941500
1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol
CID 62942060

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol (CID 106667814) is 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol is CC(N)C(N1CC(O)C(O)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
The InChIKey is JSNFXPZBCASYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-4(12)7(8(9,10)11)13-2-5(14)6(15)3-13/h4-7,14-15H,2-3,12H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol?
1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol has a molecular weight of 228.21 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106667814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).