N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine

C10H8F3N — CID 104995664

IUPACN-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine
SMILESC#CC(NC)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H8F3N/c1-3-9(14-2)10-7(12)4-6(11)5-8(10)13/h1,4-5,9,14H,2H3
InChIKeyJSUIQTZARZQASZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.00
Rot. Bonds2

About N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine

N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine (PubChem CID 104995664) has the molecular formula C10H8F3N and a molecular weight of 199.17 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine
PubChem CID104995664
Molecular FormulaC10H8F3N
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC NameN-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine
SMILESC#CC(NC)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H8F3N/c1-3-9(14-2)10-7(12)4-6(11)5-8(10)13/h1,4-5,9,14H,2H3
InChIKeyJSUIQTZARZQASZ-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483206
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483186
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483251
1-(2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483217
N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
CID 105028817
1-(2,4,6-trifluorophenyl)but-3-ynylhydrazine
CID 105281540
1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
CID 76786505
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 65237793
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine (CID 104995664) is N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine is C#CC(NC)c1c(F)cc(F)cc1F.
What is the InChIKey of N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine?
The InChIKey is JSUIQTZARZQASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c1-3-9(14-2)10-7(12)4-6(11)5-8(10)13/h1,4-5,9,14H,2H3.
What are the key properties of N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine?
N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine has a molecular weight of 199.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trifluorophenyl)prop-2-yn-1-amine is sourced from PubChem (CID 104995664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).