3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol

C7H10F2N2O — CID 130054116

IUPAC3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol
SMILESNC(c1cc[nH]c1)C(F)(F)CO
InChIInChI=1S/C7H10F2N2O/c8-7(9,4-12)6(10)5-1-2-11-3-5/h1-3,6,11-12H,4,10H2
InChIKeyWFGIQOOTIJHAHK-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.64
Rot. Bonds3

About 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol

3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol (PubChem CID 130054116) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol
PubChem CID130054116
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol
SMILESNC(c1cc[nH]c1)C(F)(F)CO
InChIInChI=1S/C7H10F2N2O/c8-7(9,4-12)6(10)5-1-2-11-3-5/h1-3,6,11-12H,4,10H2
InChIKeyWFGIQOOTIJHAHK-UHFFFAOYSA-N
XLogP0.64
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol (CID 130054116) is 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol is NC(c1cc[nH]c1)C(F)(F)CO.
What is the InChIKey of 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol?
The InChIKey is WFGIQOOTIJHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-7(9,4-12)6(10)5-1-2-11-3-5/h1-3,6,11-12H,4,10H2.
What are the key properties of 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol?
3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol has a molecular weight of 176.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 130054116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).