3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol

C6H13F2NO — CID 80604953

IUPAC3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol
SMILESCCNCC(C)(O)C(F)F
InChIInChI=1S/C6H13F2NO/c1-3-9-4-6(2,10)5(7)8/h5,9-10H,3-4H2,1-2H3
InChIKeyIWJGMVGFNLHGMN-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds4

About 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol

3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol (PubChem CID 80604953) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol
PubChem CID80604953
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol
SMILESCCNCC(C)(O)C(F)F
InChIInChI=1S/C6H13F2NO/c1-3-9-4-6(2,10)5(7)8/h5,9-10H,3-4H2,1-2H3
InChIKeyIWJGMVGFNLHGMN-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Ethylamino)-2-methylpropan-2-ol
CID 415913
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-Methyl-1-(propylamino)propan-2-ol
CID 39235030
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
1,1,1,3,3,3-Hexafluoro-2-[(methylamino)methyl]propan-2-ol
CID 12988237
1,1,1-Trifluoro-2-methyl-3-(methylamino)propan-2-ol
CID 18720359
1-(2,2,2-Trifluoroethylamino)propan-2-ol
CID 43499848
2-Methyl-1-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60885066
1,1,1-Trifluoro-3-[(2-methylpropyl)amino]propan-2-ol
CID 61529835
1,1,1-Trifluoro-3-(propylamino)propan-2-ol
CID 63902089
1-(2,2-Difluoroethylamino)-2-methylpropan-2-ol
CID 65106287
1-(2-Fluoroethylamino)-2-methylpropan-2-ol
CID 80697404

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol (CID 80604953) is 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol is CCNCC(C)(O)C(F)F.
What is the InChIKey of 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol?
The InChIKey is IWJGMVGFNLHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-3-9-4-6(2,10)5(7)8/h5,9-10H,3-4H2,1-2H3.
What are the key properties of 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol?
3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1,1-difluoro-2-methylpropan-2-ol is sourced from PubChem (CID 80604953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).