1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol

C8H18F2N2O — CID 106147602

IUPAC1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCC(F)F
InChIInChI=1S/C8H18F2N2O/c1-8(13,6-12(2)3)5-11-4-7(9)10/h7,11,13H,4-6H2,1-3H3
InChIKeyVGMNOBRZDRLPMY-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.15
Rot. Bonds6

About 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106147602) has the molecular formula C8H18F2N2O and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106147602
Molecular FormulaC8H18F2N2O
Molecular Weight196.24 g/mol
Exact Mass196.14
IUPAC Name1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCC(F)F
InChIInChI=1S/C8H18F2N2O/c1-8(13,6-12(2)3)5-11-4-7(9)10/h7,11,13H,4-6H2,1-3H3
InChIKeyVGMNOBRZDRLPMY-UHFFFAOYSA-N
XLogP0.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106147602) is 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is VGMNOBRZDRLPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O/c1-8(13,6-12(2)3)5-11-4-7(9)10/h7,11,13H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 196.24 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylamino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106147602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).