methanamine;1-methyl-4-(trifluoromethoxy)benzene

C9H12F3NO — CID 142968815

IUPACmethanamine;1-methyl-4-(trifluoromethoxy)benzene
SMILESCN.Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O.CH5N/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-2/h2-5H,1H3;2H2,1H3
InChIKeyHGIYTHNLTIBRJL-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.47
Rot. Bonds1

About methanamine;1-methyl-4-(trifluoromethoxy)benzene

methanamine;1-methyl-4-(trifluoromethoxy)benzene (PubChem CID 142968815) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is methanamine;1-methyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Namemethanamine;1-methyl-4-(trifluoromethoxy)benzene
PubChem CID142968815
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Namemethanamine;1-methyl-4-(trifluoromethoxy)benzene
SMILESCN.Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3O.CH5N/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-2/h2-5H,1H3;2H2,1H3
InChIKeyHGIYTHNLTIBRJL-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
CID 162561670
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-(chloromethyl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 170552809
1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene
CID 122600808
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
[4-(trifluoromethoxy)phenyl] (E)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
CID 59039923
[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
CID 23565882

Frequently Asked Questions

What is the IUPAC name of methanamine;1-methyl-4-(trifluoromethoxy)benzene?
The IUPAC name of methanamine;1-methyl-4-(trifluoromethoxy)benzene (CID 142968815) is methanamine;1-methyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for methanamine;1-methyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for methanamine;1-methyl-4-(trifluoromethoxy)benzene is CN.Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methanamine;1-methyl-4-(trifluoromethoxy)benzene?
The InChIKey is HGIYTHNLTIBRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.CH5N/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-2/h2-5H,1H3;2H2,1H3.
What are the key properties of methanamine;1-methyl-4-(trifluoromethoxy)benzene?
methanamine;1-methyl-4-(trifluoromethoxy)benzene has a molecular weight of 207.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 142968815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).