2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C9H15F3N2 — CID 103367655

IUPAC2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCCN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-3-4-5-14(2)7-8(6-13)9(10,11)12/h8H,3-5,7H2,1-2H3
InChIKeyGHZUFJSCOYMMCO-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.42
Rot. Bonds5

About 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367655) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367655
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCCN(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-3-4-5-14(2)7-8(6-13)9(10,11)12/h8H,3-5,7H2,1-2H3
InChIKeyGHZUFJSCOYMMCO-UHFFFAOYSA-N
XLogP2.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Difluoro-1-methylpyrrolidine-3-carbonitrile;ethane
CID 176557080
3-[Methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 28387177
3-[Methyl(3,3,3-trifluoropropyl)amino]propanenitrile
CID 60684504
3-[2-Methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile
CID 60691253
4-[Methyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 60891185
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 60892135
3-[2,2-Difluoroethyl(methyl)amino]propanenitrile
CID 60923077
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanenitrile
CID 61517443
4-[Methyl(3,3,3-trifluoropropyl)amino]butanenitrile
CID 61518043
5-[Methyl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 61521566
3-[2,2-Difluoroethyl(ethyl)amino]-2-methylpropanenitrile
CID 61575656
3-[2,2-Difluoroethyl(methyl)amino]-2-methylpropanenitrile
CID 61577927

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367655) is 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CCCCN(C)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is GHZUFJSCOYMMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-3-4-5-14(2)7-8(6-13)9(10,11)12/h8H,3-5,7H2,1-2H3.
What are the key properties of 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 208.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).