2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile

C10H15F3N2 — CID 103368028

IUPAC2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
SMILESCC1CC(C)N(CC(C#N)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-7-3-8(2)15(5-7)6-9(4-14)10(11,12)13/h7-9H,3,5-6H2,1-2H3
InChIKeyOIINVOMDTOOMQH-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.42
Rot. Bonds2

About 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile

2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103368028) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103368028
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
SMILESCC1CC(C)N(CC(C#N)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-7-3-8(2)15(5-7)6-9(4-14)10(11,12)13/h7-9H,3,5-6H2,1-2H3
InChIKeyOIINVOMDTOOMQH-UHFFFAOYSA-N
XLogP2.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile (CID 103368028) is 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile is CC1CC(C)N(CC(C#N)C(F)(F)F)C1.
What is the InChIKey of 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is OIINVOMDTOOMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7-3-8(2)15(5-7)6-9(4-14)10(11,12)13/h7-9H,3,5-6H2,1-2H3.
What are the key properties of 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103368028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).