2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile

C8H11F3N2 — CID 106523269

IUPAC2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile
SMILESCC(C#N)(NCC1CC1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-7(5-12,8(9,10)11)13-4-6-2-3-6/h6,13H,2-4H2,1H3
InChIKeyICIZAMUIOYMLDK-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.83
Rot. Bonds3

About 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile

2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile (PubChem CID 106523269) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile
PubChem CID106523269
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile
SMILESCC(C#N)(NCC1CC1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-7(5-12,8(9,10)11)13-4-6-2-3-6/h6,13H,2-4H2,1H3
InChIKeyICIZAMUIOYMLDK-UHFFFAOYSA-N
XLogP1.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile (CID 106523269) is 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile is CC(C#N)(NCC1CC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile?
The InChIKey is ICIZAMUIOYMLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-7(5-12,8(9,10)11)13-4-6-2-3-6/h6,13H,2-4H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile?
2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile has a molecular weight of 192.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-3,3,3-trifluoro-2-methylpropanenitrile is sourced from PubChem (CID 106523269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).