3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine

C10H9F6N — CID 103302130

IUPAC3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine
SMILESCNC(CC(F)(F)F)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H9F6N/c1-17-9(4-10(14,15)16)5-2-7(12)8(13)3-6(5)11/h2-3,9,17H,4H2,1H3
InChIKeyTZOLMYYDYAATRY-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.32
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine (PubChem CID 103302130) has the molecular formula C10H9F6N and a molecular weight of 257.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine
PubChem CID103302130
Molecular FormulaC10H9F6N
Molecular Weight257.18 g/mol
Exact Mass257.06
IUPAC Name3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine
SMILESCNC(CC(F)(F)F)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H9F6N/c1-17-9(4-10(14,15)16)5-2-7(12)8(13)3-6(5)11/h2-3,9,17H,4H2,1H3
InChIKeyTZOLMYYDYAATRY-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-propyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302818
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 107513221
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302394
2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol
CID 114058089
3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877928
3,3,3-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299193
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103746481
1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 55125060
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine (CID 103302130) is 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine is CNC(CC(F)(F)F)c1cc(F)c(F)cc1F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine?
The InChIKey is TZOLMYYDYAATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N/c1-17-9(4-10(14,15)16)5-2-7(12)8(13)3-6(5)11/h2-3,9,17H,4H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine has a molecular weight of 257.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 103302130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).