2-amino-1-(2,2-difluoroethylamino)propan-1-ol

C5H12F2N2O — CID 134269576

IUPAC2-amino-1-(2,2-difluoroethylamino)propan-1-ol
SMILESCC(N)C(O)NCC(F)F
InChIInChI=1S/C5H12F2N2O/c1-3(8)5(10)9-2-4(6)7/h3-5,9-10H,2,8H2,1H3
InChIKeyGDHVIRVIPIEZHF-UHFFFAOYSA-N
MW154.16 g/mol
LogP-0.49
Rot. Bonds4

About 2-amino-1-(2,2-difluoroethylamino)propan-1-ol

2-amino-1-(2,2-difluoroethylamino)propan-1-ol (PubChem CID 134269576) has the molecular formula C5H12F2N2O and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-amino-1-(2,2-difluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2,2-difluoroethylamino)propan-1-ol
PubChem CID134269576
Molecular FormulaC5H12F2N2O
Molecular Weight154.16 g/mol
Exact Mass154.09
IUPAC Name2-amino-1-(2,2-difluoroethylamino)propan-1-ol
SMILESCC(N)C(O)NCC(F)F
InChIInChI=1S/C5H12F2N2O/c1-3(8)5(10)9-2-4(6)7/h3-5,9-10H,2,8H2,1H3
InChIKeyGDHVIRVIPIEZHF-UHFFFAOYSA-N
XLogP-0.49
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,2-difluoroethylamino)propan-1-ol?
The IUPAC name of 2-amino-1-(2,2-difluoroethylamino)propan-1-ol (CID 134269576) is 2-amino-1-(2,2-difluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-amino-1-(2,2-difluoroethylamino)propan-1-ol?
The canonical SMILES for 2-amino-1-(2,2-difluoroethylamino)propan-1-ol is CC(N)C(O)NCC(F)F.
What is the InChIKey of 2-amino-1-(2,2-difluoroethylamino)propan-1-ol?
The InChIKey is GDHVIRVIPIEZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O/c1-3(8)5(10)9-2-4(6)7/h3-5,9-10H,2,8H2,1H3.
What are the key properties of 2-amino-1-(2,2-difluoroethylamino)propan-1-ol?
2-amino-1-(2,2-difluoroethylamino)propan-1-ol has a molecular weight of 154.16 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,2-difluoroethylamino)propan-1-ol is sourced from PubChem (CID 134269576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).