N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

C10H10F3N — CID 105453322

IUPACN-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCNC1Cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H10F3N/c1-14-8-5-6-3-2-4-7(9(6)8)10(11,12)13/h2-4,8,14H,5H2,1H3
InChIKeyAIVZFDPAAABQBW-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.52
Rot. Bonds1

About N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (PubChem CID 105453322) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
PubChem CID105453322
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCNC1Cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H10F3N/c1-14-8-5-6-3-2-4-7(9(6)8)10(11,12)13/h2-4,8,14H,5H2,1H3
InChIKeyAIVZFDPAAABQBW-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 156843578
6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 25154451
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
(3R)-3-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-isochromene
CID 141375838
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386374
N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
CID 117199339
1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol
CID 151562848
3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386426
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol
CID 175391484
3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
CID 74034713

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The IUPAC name of N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (CID 105453322) is N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The canonical SMILES for N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is CNC1Cc2cccc(C(F)(F)F)c21.
What is the InChIKey of N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The InChIKey is AIVZFDPAAABQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-14-8-5-6-3-2-4-7(9(6)8)10(11,12)13/h2-4,8,14H,5H2,1H3.
What are the key properties of N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine has a molecular weight of 201.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is sourced from PubChem (CID 105453322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).