N-methyl-N-(1,2,2-trifluoroethenoxy)aniline

C9H8F3NO — CID 87396734

IUPACN-methyl-N-(1,2,2-trifluoroethenoxy)aniline
SMILESCN(OC(F)=C(F)F)c1ccccc1
InChIInChI=1S/C9H8F3NO/c1-13(14-9(12)8(10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyHKYMUWHKAZLIAX-UHFFFAOYSA-N
MW203.16 g/mol
LogP3.09
Rot. Bonds3

About N-methyl-N-(1,2,2-trifluoroethenoxy)aniline

N-methyl-N-(1,2,2-trifluoroethenoxy)aniline (PubChem CID 87396734) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is N-methyl-N-(1,2,2-trifluoroethenoxy)aniline.

Molecular Properties

Compound NameN-methyl-N-(1,2,2-trifluoroethenoxy)aniline
PubChem CID87396734
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC NameN-methyl-N-(1,2,2-trifluoroethenoxy)aniline
SMILESCN(OC(F)=C(F)F)c1ccccc1
InChIInChI=1S/C9H8F3NO/c1-13(14-9(12)8(10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyHKYMUWHKAZLIAX-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(N-methylanilino) carbamate
CID 175107700
copper;(N-methylanilino) acetate
CID 88782119
(N-methylanilino) propanoate
CID 143653694
(2S)-3-methyl-2-(N-methylanilino)oxycarbonylbutanoic acid
CID 54560806
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N,N-dimethylaniline;methanol
CID 143205399
ethene;N-methyl-N-phenylaniline
CID 144541479
N,N-dimethylaniline
CID 70392672
N-methyl-N-propoxyaniline
CID 14117102
carbon monoxide;N,N-dimethylaniline;tungsten
CID 134981716
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
N,N-dimethylaniline;hydron
CID 174471199

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,2-trifluoroethenoxy)aniline?
The IUPAC name of N-methyl-N-(1,2,2-trifluoroethenoxy)aniline (CID 87396734) is N-methyl-N-(1,2,2-trifluoroethenoxy)aniline.
What is the SMILES notation for N-methyl-N-(1,2,2-trifluoroethenoxy)aniline?
The canonical SMILES for N-methyl-N-(1,2,2-trifluoroethenoxy)aniline is CN(OC(F)=C(F)F)c1ccccc1.
What is the InChIKey of N-methyl-N-(1,2,2-trifluoroethenoxy)aniline?
The InChIKey is HKYMUWHKAZLIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-13(14-9(12)8(10)11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of N-methyl-N-(1,2,2-trifluoroethenoxy)aniline?
N-methyl-N-(1,2,2-trifluoroethenoxy)aniline has a molecular weight of 203.16 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,2-trifluoroethenoxy)aniline is sourced from PubChem (CID 87396734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).