N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine

C11H12F3N — CID 105468357

IUPACN-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
SMILESCNCC1Cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H12F3N/c1-15-6-8-4-7-5-9(11(12,13)14)2-3-10(7)8/h2-3,5,8,15H,4,6H2,1H3
InChIKeyGRFVHIGYISTURW-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.56
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine

N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine (PubChem CID 105468357) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
PubChem CID105468357
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
SMILESCNCC1Cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H12F3N/c1-15-6-8-4-7-5-9(11(12,13)14)2-3-10(7)8/h2-3,5,8,15H,4,6H2,1H3
InChIKeyGRFVHIGYISTURW-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine with MolForge

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Related Compounds

N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 117202732
N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
CID 117202787
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 66416970
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 60817416
[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
CID 105454115
1-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 84620136
[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 14114278
N-methyl-3-[5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]propan-1-amine
CID 117200613
N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
CID 142174206
1-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83354458
1-amino-5-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 115045512
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine (CID 105468357) is N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine is CNCC1Cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
The InChIKey is GRFVHIGYISTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-15-6-8-4-7-5-9(11(12,13)14)2-3-10(7)8/h2-3,5,8,15H,4,6H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine has a molecular weight of 215.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine is sourced from PubChem (CID 105468357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).