3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile

C8H13F3N2O — CID 103366900

IUPAC3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile
SMILESCOCC(C)NCC(C#N)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6(5-14-2)13-4-7(3-12)8(9,10)11/h6-7,13H,4-5H2,1-2H3
InChIKeyYJRFUAVAYHLZFQ-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.31
Rot. Bonds5

About 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile

3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile (PubChem CID 103366900) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile
PubChem CID103366900
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile
SMILESCOCC(C)NCC(C#N)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6(5-14-2)13-4-7(3-12)8(9,10)11/h6-7,13H,4-5H2,1-2H3
InChIKeyYJRFUAVAYHLZFQ-UHFFFAOYSA-N
XLogP1.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile (CID 103366900) is 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile is COCC(C)NCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile?
The InChIKey is YJRFUAVAYHLZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6(5-14-2)13-4-7(3-12)8(9,10)11/h6-7,13H,4-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile has a molecular weight of 210.20 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(1-methoxypropan-2-ylamino)methyl]propanenitrile is sourced from PubChem (CID 103366900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).