N-(methylideneamino)-4-(trifluoromethoxy)aniline

C8H7F3N2O — CID 155060711

IUPACN-(methylideneamino)-4-(trifluoromethoxy)aniline
SMILESC=NNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O/c1-12-13-6-2-4-7(5-3-6)14-8(9,10)11/h2-5,13H,1H2
InChIKeyLAFFXXAUHOHEEG-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.61
Rot. Bonds3

About N-(methylideneamino)-4-(trifluoromethoxy)aniline

N-(methylideneamino)-4-(trifluoromethoxy)aniline (PubChem CID 155060711) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is N-(methylideneamino)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(methylideneamino)-4-(trifluoromethoxy)aniline
PubChem CID155060711
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC NameN-(methylideneamino)-4-(trifluoromethoxy)aniline
SMILESC=NNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O/c1-12-13-6-2-4-7(5-3-6)14-8(9,10)11/h2-5,13H,1H2
InChIKeyLAFFXXAUHOHEEG-UHFFFAOYSA-N
XLogP2.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
N-[4-(trifluoromethoxy)phenyl]methanimine
CID 118183095
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile
CID 169340911
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
N-prop-1-enyl-4-(trifluoromethoxy)aniline
CID 173173563
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-4-(trifluoromethoxy)aniline?
The IUPAC name of N-(methylideneamino)-4-(trifluoromethoxy)aniline (CID 155060711) is N-(methylideneamino)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(methylideneamino)-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-(methylideneamino)-4-(trifluoromethoxy)aniline is C=NNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(methylideneamino)-4-(trifluoromethoxy)aniline?
The InChIKey is LAFFXXAUHOHEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-12-13-6-2-4-7(5-3-6)14-8(9,10)11/h2-5,13H,1H2.
What are the key properties of N-(methylideneamino)-4-(trifluoromethoxy)aniline?
N-(methylideneamino)-4-(trifluoromethoxy)aniline has a molecular weight of 204.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 155060711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).