N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine

C10H20F3NO — CID 66204142

IUPACN-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
SMILESCCNC(C)(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-6-14-9(4,10(11,12)13)7-8(2,3)15-5/h14H,6-7H2,1-5H3
InChIKeyKMOFUWJJIRCZNF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds5

About N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine

N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine (PubChem CID 66204142) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
PubChem CID66204142
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
SMILESCCNC(C)(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-6-14-9(4,10(11,12)13)7-8(2,3)15-5/h14H,6-7H2,1-5H3
InChIKeyKMOFUWJJIRCZNF-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine (CID 66204142) is N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine is CCNC(C)(CC(C)(C)OC)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine?
The InChIKey is KMOFUWJJIRCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-6-14-9(4,10(11,12)13)7-8(2,3)15-5/h14H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine?
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 66204142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).