4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine

C9H18F3NO — CID 106705851

IUPAC4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
SMILESCC(C)CC(CN)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)3-8(4-13)5-14-6-9(10,11)12/h7-8H,3-6,13H2,1-2H3
InChIKeyZKIYYARNFYABTK-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.19
Rot. Bonds6

About 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine

4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine (PubChem CID 106705851) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
PubChem CID106705851
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
SMILESCC(C)CC(CN)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)3-8(4-13)5-14-6-9(10,11)12/h7-8H,3-6,13H2,1-2H3
InChIKeyZKIYYARNFYABTK-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine (CID 106705851) is 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine is CC(C)CC(CN)COCC(F)(F)F.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
The InChIKey is ZKIYYARNFYABTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2)3-8(4-13)5-14-6-9(10,11)12/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine?
4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine is sourced from PubChem (CID 106705851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).