N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine

C13H18F3NO — CID 64566607

IUPACN-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
SMILESCCNC(CCC(F)(F)F)COc1ccccc1
InChIInChI=1S/C13H18F3NO/c1-2-17-11(8-9-13(14,15)16)10-18-12-6-4-3-5-7-12/h3-7,11,17H,2,8-10H2,1H3
InChIKeyARESXFTZDBDSIY-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.39
Rot. Bonds7

About N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine

N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine (PubChem CID 64566607) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
PubChem CID64566607
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
SMILESCCNC(CCC(F)(F)F)COc1ccccc1
InChIInChI=1S/C13H18F3NO/c1-2-17-11(8-9-13(14,15)16)10-18-12-6-4-3-5-7-12/h3-7,11,17H,2,8-10H2,1H3
InChIKeyARESXFTZDBDSIY-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine (CID 64566607) is N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine is CCNC(CCC(F)(F)F)COc1ccccc1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine?
The InChIKey is ARESXFTZDBDSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-17-11(8-9-13(14,15)16)10-18-12-6-4-3-5-7-12/h3-7,11,17H,2,8-10H2,1H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine is sourced from PubChem (CID 64566607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).