3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol

C6H13F2NO2 — CID 115773225

IUPAC3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
SMILESCN(CC(F)F)CC(O)CO
InChIInChI=1S/C6H13F2NO2/c1-9(3-6(7)8)2-5(11)4-10/h5-6,10-11H,2-4H2,1H3
InChIKeyXKHVZTQQZZLQSY-UHFFFAOYSA-N
MW169.17 g/mol
LogP-0.46
Rot. Bonds5

About 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol

3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol (PubChem CID 115773225) has the molecular formula C6H13F2NO2 and a molecular weight of 169.17 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
PubChem CID115773225
Molecular FormulaC6H13F2NO2
Molecular Weight169.17 g/mol
Exact Mass169.09
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
SMILESCN(CC(F)F)CC(O)CO
InChIInChI=1S/C6H13F2NO2/c1-9(3-6(7)8)2-5(11)4-10/h5-6,10-11H,2-4H2,1H3
InChIKeyXKHVZTQQZZLQSY-UHFFFAOYSA-N
XLogP-0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylamino)-1,2-propanediol
CID 79078
3-(Diethylamino)-1,2-propanediol
CID 79074
3-[Ethyl(propyl)amino]propane-1,2-diol
CID 81935654
3-(Dipropylamino)propane-1,2-diol
CID 108435
3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 20721301
3-(Dimethylamino)-1,2-propanediol, (R)-
CID 6951533
(S)-1,1,1-Trifluoro-3-(diethylamino)propan-2-ol
CID 10058229
1-Propanaminium, 2,3-dihydroxy-N,N,N-trimethyl-
CID 161797
(2S)-3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 71374204
1-(Dimethylamino)-4,4,4-trifluorobutan-2-ol
CID 82534636
3-[Bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 6424971
(3R,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
CID 79419670

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol (CID 115773225) is 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol is CN(CC(F)F)CC(O)CO.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol?
The InChIKey is XKHVZTQQZZLQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2/c1-9(3-6(7)8)2-5(11)4-10/h5-6,10-11H,2-4H2,1H3.
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol?
3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol has a molecular weight of 169.17 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol is sourced from PubChem (CID 115773225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).