N-methyl-3-(trifluoromethoxymethyl)aniline

C9H10F3NO — CID 175464452

IUPACN-methyl-3-(trifluoromethoxymethyl)aniline
SMILESCNc1cccc(COC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13-8-4-2-3-7(5-8)6-14-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyVKILRNFBLDDFJT-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-3-(trifluoromethoxymethyl)aniline

N-methyl-3-(trifluoromethoxymethyl)aniline (PubChem CID 175464452) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethoxymethyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethoxymethyl)aniline
PubChem CID175464452
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-methyl-3-(trifluoromethoxymethyl)aniline
SMILESCNc1cccc(COC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-13-8-4-2-3-7(5-8)6-14-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyVKILRNFBLDDFJT-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethoxymethyl)aniline?
The IUPAC name of N-methyl-3-(trifluoromethoxymethyl)aniline (CID 175464452) is N-methyl-3-(trifluoromethoxymethyl)aniline.
What is the SMILES notation for N-methyl-3-(trifluoromethoxymethyl)aniline?
The canonical SMILES for N-methyl-3-(trifluoromethoxymethyl)aniline is CNc1cccc(COC(F)(F)F)c1.
What is the InChIKey of N-methyl-3-(trifluoromethoxymethyl)aniline?
The InChIKey is VKILRNFBLDDFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-8-4-2-3-7(5-8)6-14-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethoxymethyl)aniline?
N-methyl-3-(trifluoromethoxymethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethoxymethyl)aniline is sourced from PubChem (CID 175464452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).