5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine

C13H15F6NO — CID 79954567

IUPAC5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F6NO/c1-20-10(6-7-12(14,15)16)8-9-2-4-11(5-3-9)21-13(17,18)19/h2-5,10,20H,6-8H2,1H3
InChIKeyYEOHIHWGLSZHRH-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.06
Rot. Bonds6

About 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine

5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine (PubChem CID 79954567) has the molecular formula C13H15F6NO and a molecular weight of 315.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
PubChem CID79954567
Molecular FormulaC13H15F6NO
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC Name5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F6NO/c1-20-10(6-7-12(14,15)16)8-9-2-4-11(5-3-9)21-13(17,18)19/h2-5,10,20H,6-8H2,1H3
InChIKeyYEOHIHWGLSZHRH-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-propoxy-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 105136599
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
CID 105225207
N-ethyl-1-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65131725
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 62601116

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine (CID 79954567) is 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine is CNC(CCC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
The InChIKey is YEOHIHWGLSZHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO/c1-20-10(6-7-12(14,15)16)8-9-2-4-11(5-3-9)21-13(17,18)19/h2-5,10,20H,6-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine has a molecular weight of 315.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine is sourced from PubChem (CID 79954567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).