N-methyl-4-(trifluoromethoxy)aniline

C8H8F3NO — CID 737351

IUPACN-methyl-4-(trifluoromethoxy)aniline
SMILESCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5,12H,1H3
InChIKeyMGCCWCLGIPNIBP-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.63
Rot. Bonds2

About N-methyl-4-(trifluoromethoxy)aniline

N-methyl-4-(trifluoromethoxy)aniline (PubChem CID 737351) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethoxy)aniline
PubChem CID737351
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameN-methyl-4-(trifluoromethoxy)aniline
SMILESCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5,12H,1H3
InChIKeyMGCCWCLGIPNIBP-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethoxy)aniline?
The IUPAC name of N-methyl-4-(trifluoromethoxy)aniline (CID 737351) is N-methyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-methyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-methyl-4-(trifluoromethoxy)aniline is CNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(trifluoromethoxy)aniline?
The InChIKey is MGCCWCLGIPNIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-methyl-4-(trifluoromethoxy)aniline?
N-methyl-4-(trifluoromethoxy)aniline has a molecular weight of 191.15 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 737351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).