2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C10H15F3N2 — CID 103367729

IUPAC2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC(C1CC1)N(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7(8-3-4-8)15(2)6-9(5-14)10(11,12)13/h7-9H,3-4,6H2,1-2H3
InChIKeyIOTKHVVNYMRMHF-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.42
Rot. Bonds4

About 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367729) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367729
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC(C1CC1)N(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-7(8-3-4-8)15(2)6-9(5-14)10(11,12)13/h7-9H,3-4,6H2,1-2H3
InChIKeyIOTKHVVNYMRMHF-UHFFFAOYSA-N
XLogP2.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367729) is 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CC(C1CC1)N(C)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is IOTKHVVNYMRMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7(8-3-4-8)15(2)6-9(5-14)10(11,12)13/h7-9H,3-4,6H2,1-2H3.
What are the key properties of 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).