1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol

C9H17F3N2O — CID 103355540

IUPAC1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC(N)C(N1CCC(C)(O)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(13)7(9(10,11)12)14-4-3-8(2,15)5-14/h6-7,15H,3-5,13H2,1-2H3
InChIKeyVQVKMXNIROMKFK-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol

1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103355540) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
PubChem CID103355540
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC(N)C(N1CCC(C)(O)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(13)7(9(10,11)12)14-4-3-8(2,15)5-14/h6-7,15H,3-5,13H2,1-2H3
InChIKeyVQVKMXNIROMKFK-UHFFFAOYSA-N
XLogP0.72
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706288
1-[(4-Amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol
CID 163294804
1-(3-Amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-ol
CID 62943744
1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-ol
CID 62943745
1-Amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64820228
2-Methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol
CID 65337886
1-[(3-Amino-1,1,1-trifluoropentan-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79384272
1-[(3-Amino-1,1,1-trifluoropentan-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79384398
1-[(3-Amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79384493
1-[(3-Amino-1,1,1-trifluorobutan-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79384571
1-[(3-Amino-1,1,1-trifluoropropan-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79385059
1-[(3-Amino-1,1,1-trifluoropropan-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79385284

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol (CID 103355540) is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol is CC(N)C(N1CCC(C)(O)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is VQVKMXNIROMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(13)7(9(10,11)12)14-4-3-8(2,15)5-14/h6-7,15H,3-5,13H2,1-2H3.
What are the key properties of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 226.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).