1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol

C9H17F3N2O — CID 103366498

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c1-8(15)2-3-14(6-8)5-7(4-13)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyOBBIYJVRIVGNCG-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol (PubChem CID 103366498) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
PubChem CID103366498
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c1-8(15)2-3-14(6-8)5-7(4-13)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyOBBIYJVRIVGNCG-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol (CID 103366498) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC(CN)C(F)(F)F)C1.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol?
The InChIKey is OBBIYJVRIVGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(15)2-3-14(6-8)5-7(4-13)9(10,11)12/h7,15H,2-6,13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol 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-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103366498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).