ethane;N-methyl-4-(trifluoromethoxy)aniline

C10H14F3NO — CID 143206092

IUPACethane;N-methyl-4-(trifluoromethoxy)aniline
SMILESCC.CNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO.C2H6/c1-12-6-2-4-7(5-3-6)13-8(9,10)11;1-2/h2-5,12H,1H3;1-2H3
InChIKeyPEFOPCDWSPZBJE-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.65
Rot. Bonds2

About ethane;N-methyl-4-(trifluoromethoxy)aniline

ethane;N-methyl-4-(trifluoromethoxy)aniline (PubChem CID 143206092) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is ethane;N-methyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Nameethane;N-methyl-4-(trifluoromethoxy)aniline
PubChem CID143206092
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Nameethane;N-methyl-4-(trifluoromethoxy)aniline
SMILESCC.CNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO.C2H6/c1-12-6-2-4-7(5-3-6)13-8(9,10)11;1-2/h2-5,12H,1H3;1-2H3
InChIKeyPEFOPCDWSPZBJE-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.65
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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Related Compounds

4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
ethane;N-methyl-4-(trifluoromethoxy)aniline;1,2,5-trimethylpiperidine
CID 169122968
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
N-prop-1-enyl-4-(trifluoromethoxy)aniline
CID 173173563
N-(4-methylpentyl)-4-(trifluoromethoxy)aniline
CID 83157081
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
N-(methylideneamino)-4-(trifluoromethoxy)aniline
CID 155060711
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80769352

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-(trifluoromethoxy)aniline?
The IUPAC name of ethane;N-methyl-4-(trifluoromethoxy)aniline (CID 143206092) is ethane;N-methyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for ethane;N-methyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for ethane;N-methyl-4-(trifluoromethoxy)aniline is CC.CNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethane;N-methyl-4-(trifluoromethoxy)aniline?
The InChIKey is PEFOPCDWSPZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C2H6/c1-12-6-2-4-7(5-3-6)13-8(9,10)11;1-2/h2-5,12H,1H3;1-2H3.
What are the key properties of ethane;N-methyl-4-(trifluoromethoxy)aniline?
ethane;N-methyl-4-(trifluoromethoxy)aniline has a molecular weight of 221.22 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 143206092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).