3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol

C8H15F3N2O — CID 63899866

IUPAC3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESNCC1CCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)5-13-2-1-6(3-12)4-13/h6-7,14H,1-5,12H2
InChIKeyQBNPXIFCXKXWHM-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.19
Rot. Bonds3

About 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899866) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63899866
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESNCC1CCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(14)5-13-2-1-6(3-12)4-13/h6-7,14H,1-5,12H2
InChIKeyQBNPXIFCXKXWHM-UHFFFAOYSA-N
XLogP0.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 63899866) is 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol is NCC1CCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is QBNPXIFCXKXWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7(14)5-13-2-1-6(3-12)4-13/h6-7,14H,1-5,12H2.
What are the key properties of 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 212.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pyrrolidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).