2-amino-3,3-difluorobutan-1-ol;ethane

C6H15F2NO — CID 170584930

IUPAC2-amino-3,3-difluorobutan-1-ol;ethane
SMILESCC.CC(F)(F)C(N)CO
InChIInChI=1S/C4H9F2NO.C2H6/c1-4(5,6)3(7)2-8;1-2/h3,8H,2,7H2,1H3;1-2H3
InChIKeyTUAMSEQPBWTEAB-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.99
Rot. Bonds2

About 2-amino-3,3-difluorobutan-1-ol;ethane

2-amino-3,3-difluorobutan-1-ol;ethane (PubChem CID 170584930) has the molecular formula C6H15F2NO and a molecular weight of 155.19 g/mol. Its IUPAC name is 2-amino-3,3-difluorobutan-1-ol;ethane.

Molecular Properties

Compound Name2-amino-3,3-difluorobutan-1-ol;ethane
PubChem CID170584930
Molecular FormulaC6H15F2NO
Molecular Weight155.19 g/mol
Exact Mass155.11
IUPAC Name2-amino-3,3-difluorobutan-1-ol;ethane
SMILESCC.CC(F)(F)C(N)CO
InChIInChI=1S/C4H9F2NO.C2H6/c1-4(5,6)3(7)2-8;1-2/h3,8H,2,7H2,1H3;1-2H3
InChIKeyTUAMSEQPBWTEAB-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-difluorobutan-1-ol;ethane?
The IUPAC name of 2-amino-3,3-difluorobutan-1-ol;ethane (CID 170584930) is 2-amino-3,3-difluorobutan-1-ol;ethane.
What is the SMILES notation for 2-amino-3,3-difluorobutan-1-ol;ethane?
The canonical SMILES for 2-amino-3,3-difluorobutan-1-ol;ethane is CC.CC(F)(F)C(N)CO.
What is the InChIKey of 2-amino-3,3-difluorobutan-1-ol;ethane?
The InChIKey is TUAMSEQPBWTEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO.C2H6/c1-4(5,6)3(7)2-8;1-2/h3,8H,2,7H2,1H3;1-2H3.
What are the key properties of 2-amino-3,3-difluorobutan-1-ol;ethane?
2-amino-3,3-difluorobutan-1-ol;ethane has a molecular weight of 155.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-difluorobutan-1-ol;ethane is sourced from PubChem (CID 170584930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).