N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline

C14H9ClF4N2 — CID 110841674

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
SMILESFc1cccc(Cl)c1C=NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF4N2/c15-12-5-2-6-13(16)11(12)8-20-21-10-4-1-3-9(7-10)14(17,18)19/h1-8,21H
InChIKeyFJZPLDMLJSUMIK-UHFFFAOYSA-N
MW316.69 g/mol
LogP4.94
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline

N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline (PubChem CID 110841674) has the molecular formula C14H9ClF4N2 and a molecular weight of 316.69 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
PubChem CID110841674
Molecular FormulaC14H9ClF4N2
Molecular Weight316.69 g/mol
Exact Mass316.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
SMILESFc1cccc(Cl)c1C=NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF4N2/c15-12-5-2-6-13(16)11(12)8-20-21-10-4-1-3-9(7-10)14(17,18)19/h1-8,21H
InChIKeyFJZPLDMLJSUMIK-UHFFFAOYSA-N
XLogP4.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.69
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841537
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7738333
4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066818
N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841664
2-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976959
N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841663
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
N-[(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841727
N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841699
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
CID 18736702

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline (CID 110841674) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline is Fc1cccc(Cl)c1C=NNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline?
The InChIKey is FJZPLDMLJSUMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2/c15-12-5-2-6-13(16)11(12)8-20-21-10-4-1-3-9(7-10)14(17,18)19/h1-8,21H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline has a molecular weight of 316.69 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 110841674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).