3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide

C6H12F2N2O2 — CID 106176150

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
SMILESNC(=O)CCNCC(F)(F)CO
InChIInChI=1S/C6H12F2N2O2/c7-6(8,4-11)3-10-2-1-5(9)12/h10-11H,1-4H2,(H2,9,12)
InChIKeyFILWBPNPWHCZOL-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.92
Rot. Bonds6

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide

3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide (PubChem CID 106176150) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
PubChem CID106176150
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
SMILESNC(=O)CCNCC(F)(F)CO
InChIInChI=1S/C6H12F2N2O2/c7-6(8,4-11)3-10-2-1-5(9)12/h10-11H,1-4H2,(H2,9,12)
InChIKeyFILWBPNPWHCZOL-UHFFFAOYSA-N
XLogP-0.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanoate
CID 106175942
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
CID 106178221
3-(aminomethylamino)propanamide
CID 123274483
5-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanamide
CID 106233905
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
CID 106176837
3-(1,1-difluoroethylamino)propanamide
CID 162133610
ethane;3-(ethylamino)propanamide
CID 156743022
3-(5-hydroxypentylamino)propanamide
CID 62227149
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
2-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethoxy]benzoic acid
CID 106178233

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide (CID 106176150) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide is NC(=O)CCNCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
The InChIKey is FILWBPNPWHCZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c7-6(8,4-11)3-10-2-1-5(9)12/h10-11H,1-4H2,(H2,9,12).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide?
3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide has a molecular weight of 182.17 g/mol, XLogP of -0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 106176150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).