4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

C9H18F3NO — CID 43146950

IUPAC4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(5-8(2,3)14-4)13-6-9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyHZUIAVGMSIZKIX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds5

About 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (PubChem CID 43146950) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
PubChem CID43146950
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(5-8(2,3)14-4)13-6-9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyHZUIAVGMSIZKIX-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (CID 43146950) is 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is COC(C)(C)CC(C)NCC(F)(F)F.
What is the InChIKey of 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The InChIKey is HZUIAVGMSIZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(5-8(2,3)14-4)13-6-9(10,11)12/h7,13H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is sourced from PubChem (CID 43146950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).