2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline

C14H10ClF4NO — CID 172674950

IUPAC2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline
SMILESNc1cc(OCC(F)(F)F)ccc1-c1cc(Cl)ccc1F
InChIInChI=1S/C14H10ClF4NO/c15-8-1-4-12(16)11(5-8)10-3-2-9(6-13(10)20)21-7-14(17,18)19/h1-6H,7,20H2
InChIKeyKLHCXEYXNAMFFH-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.67
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline

2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline (PubChem CID 172674950) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline
PubChem CID172674950
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline
SMILESNc1cc(OCC(F)(F)F)ccc1-c1cc(Cl)ccc1F
InChIInChI=1S/C14H10ClF4NO/c15-8-1-4-12(16)11(5-8)10-3-2-9(6-13(10)20)21-7-14(17,18)19/h1-6H,7,20H2
InChIKeyKLHCXEYXNAMFFH-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674944
2-(3-propan-2-ylphenyl)-5-(2,2,2-trifluoroethoxy)aniline
CID 172674959
2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline
CID 172676635
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 63094186
2-fluoro-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 155798145
2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline
CID 172674976
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
2-chloro-4-(2,2,2-trifluoroethoxymethoxy)aniline
CID 106704391
4-chloro-2,5-difluoroaniline;6-(2,2,2-trifluoroethoxy)-1H-indole-3-thiol
CID 142393237
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
3-imino-5-(2,2,2-trifluoroethoxy)isoindol-1-amine
CID 18006514
1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 175665868

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline (CID 172674950) is 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline is Nc1cc(OCC(F)(F)F)ccc1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is KLHCXEYXNAMFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c15-8-1-4-12(16)11(5-8)10-3-2-9(6-13(10)20)21-7-14(17,18)19/h1-6H,7,20H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline?
2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 319.69 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 172674950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).