1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol

C8H15F3N2O2 — CID 106668172

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol
SMILESNCC(CN1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)5(1-12)2-13-3-6(14)7(15)4-13/h5-7,14-15H,1-4,12H2
InChIKeyCJQHCNRXJPIIHH-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.84
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol (PubChem CID 106668172) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol
PubChem CID106668172
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol
SMILESNCC(CN1CC(O)C(O)C1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)5(1-12)2-13-3-6(14)7(15)4-13/h5-7,14-15H,1-4,12H2
InChIKeyCJQHCNRXJPIIHH-UHFFFAOYSA-N
XLogP-0.84
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol
CID 62942060
3-[3-(Aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63899866
1,1,1-Trifluoro-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 63902106
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-ol
CID 103366296
2-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103372198
1,1-Difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 105645222
2,2-Difluoro-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol
CID 106176180
1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
CID 106667814
1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-3,4-diol
CID 106667888
1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidine-3,4-diol
CID 106668149
2-[(3,4-Dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 106669448
2-[(3,4-Dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 106669595

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol (CID 106668172) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol is NCC(CN1CC(O)C(O)C1)C(F)(F)F.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol?
The InChIKey is CJQHCNRXJPIIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)5(1-12)2-13-3-6(14)7(15)4-13/h5-7,14-15H,1-4,12H2.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol has a molecular weight of 228.21 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106668172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).