1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H22F3N3O — CID 66055584

IUPAC1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCC(N)C(N1CC(O)CC1CN(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-7(15)10(11(12,13)14)17-6-9(18)4-8(17)5-16(2)3/h7-10,18H,4-6,15H2,1-3H3
InChIKeyCFJUTVOPRGHAQL-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.26
Rot. Bonds4

About 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66055584) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66055584
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCC(N)C(N1CC(O)CC1CN(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N3O/c1-7(15)10(11(12,13)14)17-6-9(18)4-8(17)5-16(2)3/h7-10,18H,4-6,15H2,1-3H3
InChIKeyCFJUTVOPRGHAQL-UHFFFAOYSA-N
XLogP0.26
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66055584) is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CC(N)C(N1CC(O)CC1CN(C)C)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is CFJUTVOPRGHAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-7(15)10(11(12,13)14)17-6-9(18)4-8(17)5-16(2)3/h7-10,18H,4-6,15H2,1-3H3.
What are the key properties of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 269.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).