1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine

C13H16Cl2F3N — CID 115516577

IUPAC1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2F3N/c1-19-10(3-2-6-13(16,17)18)7-9-4-5-11(14)12(15)8-9/h4-5,8,10,19H,2-3,6-7H2,1H3
InChIKeyGSDVVIXPFMXASC-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.86
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine

1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine (PubChem CID 115516577) has the molecular formula C13H16Cl2F3N and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
PubChem CID115516577
Molecular FormulaC13H16Cl2F3N
Molecular Weight314.18 g/mol
Exact Mass313.06
IUPAC Name1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
SMILESCNC(CCCC(F)(F)F)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2F3N/c1-19-10(3-2-6-13(16,17)18)7-9-4-5-11(14)12(15)8-9/h4-5,8,10,19H,2-3,6-7H2,1H3
InChIKeyGSDVVIXPFMXASC-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
CID 114209914
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
CID 105174240
1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine (CID 115516577) is 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine is CNC(CCCC(F)(F)F)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
The InChIKey is GSDVVIXPFMXASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2F3N/c1-19-10(3-2-6-13(16,17)18)7-9-4-5-11(14)12(15)8-9/h4-5,8,10,19H,2-3,6-7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine?
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine has a molecular weight of 314.18 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine is sourced from PubChem (CID 115516577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).