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

C6H13F2NO — CID 168906606

IUPAC3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol
SMILESCNCC(C)(O)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-5(10,4-9-3)6(2,7)8/h9-10H,4H2,1-3H3
InChIKeyVGVKWAJOIVFZHG-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds3

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

3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol (PubChem CID 168906606) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol
PubChem CID168906606
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol
SMILESCNCC(C)(O)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-5(10,4-9-3)6(2,7)8/h9-10H,4H2,1-3H3
InChIKeyVGVKWAJOIVFZHG-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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Related Compounds

2,3,3-trimethyl-1-(methylamino)butan-2-ol
CID 80559172
2-amino-1-(methylamino)propan-2-ol
CID 126635674
2,2-difluoro-N-methyl-3-(methylamino)propanamide
CID 14093529
2-(methylamino)ethane-1,1,1-triol;oxalic acid
CID 87192697
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
bis(2-(methylamino)ethane-1,1,1-triol);oxalic acid
CID 173028375
azane;2-(methylamino)ethane-1,1,1-triol;dihydrate
CID 174619315
2,2-difluoro-N,6-dimethylheptan-1-amine
CID 88588168
2-cyclobutyl-2-fluoro-N-methylpropan-1-amine
CID 105428809
1-(methylamino)-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773966
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane
CID 171816861

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol?
The IUPAC name of 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol (CID 168906606) is 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol.
What is the SMILES notation for 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol?
The canonical SMILES for 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol is CNCC(C)(O)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol?
The InChIKey is VGVKWAJOIVFZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-5(10,4-9-3)6(2,7)8/h9-10H,4H2,1-3H3.
What are the key properties of 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol?
3,3-difluoro-2-methyl-1-(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 3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol is sourced from PubChem (CID 168906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).