1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol

C7H9F3N2O — CID 79100825

IUPAC1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol
SMILESOC(CNn1cccc1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(13)5-11-12-3-1-2-4-12/h1-4,6,11,13H,5H2
InChIKeyJOZACUAMBNKFKV-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.95
Rot. Bonds3

About 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol

1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol (PubChem CID 79100825) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol
PubChem CID79100825
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol
SMILESOC(CNn1cccc1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(13)5-11-12-3-1-2-4-12/h1-4,6,11,13H,5H2
InChIKeyJOZACUAMBNKFKV-UHFFFAOYSA-N
XLogP0.95
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol (CID 79100825) is 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol is OC(CNn1cccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol?
The InChIKey is JOZACUAMBNKFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)6(13)5-11-12-3-1-2-4-12/h1-4,6,11,13H,5H2.
What are the key properties of 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol has a molecular weight of 194.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(pyrrol-1-ylamino)propan-2-ol is sourced from PubChem (CID 79100825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).