1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol

C6H13F2NO — CID 130589679

IUPAC1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol
SMILESCNC(C)(C)C(O)C(F)F
InChIInChI=1S/C6H13F2NO/c1-6(2,9-3)4(10)5(7)8/h4-5,9-10H,1-3H3
InChIKeyYABHXQVFWODEQS-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds3

About 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol

1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol (PubChem CID 130589679) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol
PubChem CID130589679
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol
SMILESCNC(C)(C)C(O)C(F)F
InChIInChI=1S/C6H13F2NO/c1-6(2,9-3)4(10)5(7)8/h4-5,9-10H,1-3H3
InChIKeyYABHXQVFWODEQS-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol?
The IUPAC name of 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol (CID 130589679) is 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol?
The canonical SMILES for 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol is CNC(C)(C)C(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol?
The InChIKey is YABHXQVFWODEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-6(2,9-3)4(10)5(7)8/h4-5,9-10H,1-3H3.
What are the key properties of 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol?
1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol is sourced from PubChem (CID 130589679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).