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

C10H19F3N2O — CID 103355364

IUPAC1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCCC(N)C(N1CCC(C)(O)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-7(14)8(10(11,12)13)15-5-4-9(2,16)6-15/h7-8,16H,3-6,14H2,1-2H3
InChIKeyLCZPSWUUTMMTLJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds3

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

1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103355364) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol
PubChem CID103355364
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCCC(N)C(N1CCC(C)(O)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-3-7(14)8(10(11,12)13)15-5-4-9(2,16)6-15/h7-8,16H,3-6,14H2,1-2H3
InChIKeyLCZPSWUUTMMTLJ-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
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
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
3-(2-Aminoethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 83916918
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355380
1-(3-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355540
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355587
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
CID 103366498
1-(4-Amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737654

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol (CID 103355364) is 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol is CCC(N)C(N1CCC(C)(O)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is LCZPSWUUTMMTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-7(14)8(10(11,12)13)15-5-4-9(2,16)6-15/h7-8,16H,3-6,14H2,1-2H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol?
1-(3-amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 240.27 g/mol, XLogP of 1.11, 3 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-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).