5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol

C7H13F3N2O — CID 66056750

IUPAC5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol
SMILESOC1CNC(CNCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)4-11-2-5-1-6(13)3-12-5/h5-6,11-13H,1-4H2
InChIKeyCEVLEQLRYZSWHV-UHFFFAOYSA-N
MW198.19 g/mol
LogP-0.14
Rot. Bonds3

About 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol

5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66056750) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol
PubChem CID66056750
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol
SMILESOC1CNC(CNCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)4-11-2-5-1-6(13)3-12-5/h5-6,11-13H,1-4H2
InChIKeyCEVLEQLRYZSWHV-UHFFFAOYSA-N
XLogP-0.14
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol (CID 66056750) is 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol is OC1CNC(CNCC(F)(F)F)C1.
What is the InChIKey of 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is CEVLEQLRYZSWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)4-11-2-5-1-6(13)3-12-5/h5-6,11-13H,1-4H2.
What are the key properties of 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol?
5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 198.19 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).