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

C13H15F6N — CID 79953449

IUPAC5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F6N/c1-20-11(6-7-12(14,15)16)8-9-2-4-10(5-3-9)13(17,18)19/h2-5,11,20H,6-8H2,1H3
InChIKeyRACSMODHIIOCDJ-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.18
Rot. Bonds5

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

5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 79953449) has the molecular formula C13H15F6N and a molecular weight of 299.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID79953449
Molecular FormulaC13H15F6N
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F6N/c1-20-11(6-7-12(14,15)16)8-9-2-4-10(5-3-9)13(17,18)19/h2-5,11,20H,6-8H2,1H3
InChIKeyRACSMODHIIOCDJ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (CID 79953449) is 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is CNC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is RACSMODHIIOCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N/c1-20-11(6-7-12(14,15)16)8-9-2-4-10(5-3-9)13(17,18)19/h2-5,11,20H,6-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 299.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 79953449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).