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

C7H13F3N2O2 — CID 106667888

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol
SMILESNCC(N1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)6(1-11)12-2-4(13)5(14)3-12/h4-6,13-14H,1-3,11H2
InChIKeyBBQUBKPYLHCHPZ-UHFFFAOYSA-N
MW214.19 g/mol
LogP-1.09
Rot. Bonds2

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

1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol (PubChem CID 106667888) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol
PubChem CID106667888
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol
SMILESNCC(N1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)6(1-11)12-2-4(13)5(14)3-12/h4-6,13-14H,1-3,11H2
InChIKeyBBQUBKPYLHCHPZ-UHFFFAOYSA-N
XLogP-1.09
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 117709673
4-Amino-1-(2,2,2-trifluoro-1-iodoethyl)pyrrolidin-3-ol
CID 118518287
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-3-ol
CID 172335386
1-(2-Aminoethyl)-4,4-difluoropyrrolidin-3-ol
CID 176241913
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
1-(3-Amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-ol
CID 62943744
1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol
CID 62943745
4-[Methyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
CID 63703144
4-[Ethyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
CID 63703949
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
CID 63704213
4-[Propyl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
CID 63704214

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol (CID 106667888) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol is NCC(N1CC(O)C(O)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol?
The InChIKey is BBQUBKPYLHCHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)6(1-11)12-2-4(13)5(14)3-12/h4-6,13-14H,1-3,11H2.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol?
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol has a molecular weight of 214.19 g/mol, XLogP of -1.09, 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-trifluoropropan-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106667888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).