1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine

C13H16F5N — CID 105024000

IUPAC1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)Cc1c(F)cccc1F
InChIInChI=1S/C13H16F5N/c1-19-9(4-3-7-13(16,17)18)8-10-11(14)5-2-6-12(10)15/h2,5-6,9,19H,3-4,7-8H2,1H3
InChIKeyXYZDASGQXJGXIM-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.83
Rot. Bonds6

About 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine

1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine (PubChem CID 105024000) has the molecular formula C13H16F5N and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
PubChem CID105024000
Molecular FormulaC13H16F5N
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)Cc1c(F)cccc1F
InChIInChI=1S/C13H16F5N/c1-19-9(4-3-7-13(16,17)18)8-10-11(14)5-2-6-12(10)15/h2,5-6,9,19H,3-4,7-8H2,1H3
InChIKeyXYZDASGQXJGXIM-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002
1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine
CID 105033816
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
CID 116534583
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 115517085
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
1-(2-bromo-6-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 114886948
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641
[1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206168
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine (CID 105024000) is 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine is CNC(CCCC(F)(F)F)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The InChIKey is XYZDASGQXJGXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5N/c1-19-9(4-3-7-13(16,17)18)8-10-11(14)5-2-6-12(10)15/h2,5-6,9,19H,3-4,7-8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine has a molecular weight of 281.27 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine is sourced from PubChem (CID 105024000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).