4-(2,2-difluoroethylamino)butan-2-ol

C6H13F2NO — CID 64910994

IUPAC4-(2,2-difluoroethylamino)butan-2-ol
SMILESCC(O)CCNCC(F)F
InChIInChI=1S/C6H13F2NO/c1-5(10)2-3-9-4-6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyXXPSLBZFCIUTAE-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds5

About 4-(2,2-difluoroethylamino)butan-2-ol

4-(2,2-difluoroethylamino)butan-2-ol (PubChem CID 64910994) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)butan-2-ol
PubChem CID64910994
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name4-(2,2-difluoroethylamino)butan-2-ol
SMILESCC(O)CCNCC(F)F
InChIInChI=1S/C6H13F2NO/c1-5(10)2-3-9-4-6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyXXPSLBZFCIUTAE-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)butan-2-ol?
The IUPAC name of 4-(2,2-difluoroethylamino)butan-2-ol (CID 64910994) is 4-(2,2-difluoroethylamino)butan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethylamino)butan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethylamino)butan-2-ol is CC(O)CCNCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethylamino)butan-2-ol?
The InChIKey is XXPSLBZFCIUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-5(10)2-3-9-4-6(7)8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of 4-(2,2-difluoroethylamino)butan-2-ol?
4-(2,2-difluoroethylamino)butan-2-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)butan-2-ol is sourced from PubChem (CID 64910994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).