3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol

C8H11F3N2O — CID 47003442

IUPAC3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
SMILESCn1ccc(C(O)(CN)C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-13-3-2-6(4-13)7(14,5-12)8(9,10)11/h2-4,14H,5,12H2,1H3
InChIKeyFMIJGJPKKYINBJ-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.73
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol (PubChem CID 47003442) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
PubChem CID47003442
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
SMILESCn1ccc(C(O)(CN)C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-13-3-2-6(4-13)7(14,5-12)8(9,10)11/h2-4,14H,5,12H2,1H3
InChIKeyFMIJGJPKKYINBJ-UHFFFAOYSA-N
XLogP0.73
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol (CID 47003442) is 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol is Cn1ccc(C(O)(CN)C(F)(F)F)c1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
The InChIKey is FMIJGJPKKYINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-13-3-2-6(4-13)7(14,5-12)8(9,10)11/h2-4,14H,5,12H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol is sourced from PubChem (CID 47003442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).