2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile

C7H11F3N2O2 — CID 103367347

IUPAC2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNC(CO)CO)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5(1-11)2-12-6(3-13)4-14/h5-6,12-14H,2-4H2
InChIKeySLVUVEDRUFNSLP-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.37
Rot. Bonds5

About 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile

2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367347) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367347
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNC(CO)CO)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5(1-11)2-12-6(3-13)4-14/h5-6,12-14H,2-4H2
InChIKeySLVUVEDRUFNSLP-UHFFFAOYSA-N
XLogP-0.37
TPSA76.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-Difluoro-2-hydroxyethyl)amino]propane-1,3-diol
CID 90392213
2-(3,3,3-Trifluoropropylamino)propane-1,3-diol
CID 65313204
2-(2,2-Difluoroethylamino)propane-1,3-diol
CID 65314249
2-(2,2,2-Trifluoroethylamino)propane-1,3-diol
CID 65314838
3,3,3-Trifluoro-2-(2-methylpropylamino)propan-1-ol
CID 83817418
3,3,3-Trifluoro-2-[(2-hydroxyethylamino)methyl]propanenitrile
CID 103367031
3,3,3-Trifluoro-2-[(1-hydroxybutan-2-ylamino)methyl]propanenitrile
CID 103367032
3,3,3-Trifluoro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]propanenitrile
CID 103367033
3,3,3-Trifluoro-2-[(1-hydroxypropan-2-ylamino)methyl]propanenitrile
CID 103367036
3,3,3-Trifluoro-2-[(3-hydroxypropylamino)methyl]propanenitrile
CID 103367037
3,3,3-Trifluoro-2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]propanenitrile
CID 103367380
2-[[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367471

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile (CID 103367347) is 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile is N#CC(CNC(CO)CO)C(F)(F)F.
What is the InChIKey of 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is SLVUVEDRUFNSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5(1-11)2-12-6(3-13)4-14/h5-6,12-14H,2-4H2.
What are the key properties of 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 212.17 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).