3-(2,2,2-trifluoroethylamino)butanenitrile

C6H9F3N2 — CID 60914311

IUPAC3-(2,2,2-trifluoroethylamino)butanenitrile
SMILESCC(CC#N)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-5(2-3-10)11-4-6(7,8)9/h5,11H,2,4H2,1H3
InChIKeyMUDMFUCKAOOQHF-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.44
Rot. Bonds3

About 3-(2,2,2-trifluoroethylamino)butanenitrile

3-(2,2,2-trifluoroethylamino)butanenitrile (PubChem CID 60914311) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)butanenitrile.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)butanenitrile
PubChem CID60914311
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name3-(2,2,2-trifluoroethylamino)butanenitrile
SMILESCC(CC#N)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-5(2-3-10)11-4-6(7,8)9/h5,11H,2,4H2,1H3
InChIKeyMUDMFUCKAOOQHF-UHFFFAOYSA-N
XLogP1.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)butanenitrile?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)butanenitrile (CID 60914311) is 3-(2,2,2-trifluoroethylamino)butanenitrile.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)butanenitrile?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)butanenitrile is CC(CC#N)NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)butanenitrile?
The InChIKey is MUDMFUCKAOOQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-5(2-3-10)11-4-6(7,8)9/h5,11H,2,4H2,1H3.
What are the key properties of 3-(2,2,2-trifluoroethylamino)butanenitrile?
3-(2,2,2-trifluoroethylamino)butanenitrile has a molecular weight of 166.15 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)butanenitrile is sourced from PubChem (CID 60914311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).