2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline

C13H8ClF4N — CID 171921674

IUPAC2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(F)c(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H8ClF4N/c14-10-5-9(11(15)6-12(10)19)7-1-3-8(4-2-7)13(16,17)18/h1-6H,19H2
InChIKeyHJPKURLIGBBEJK-UHFFFAOYSA-N
MW289.66 g/mol
LogP4.75
Rot. Bonds1

About 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline

2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 171921674) has the molecular formula C13H8ClF4N and a molecular weight of 289.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID171921674
Molecular FormulaC13H8ClF4N
Molecular Weight289.66 g/mol
Exact Mass289.03
IUPAC Name2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(F)c(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H8ClF4N/c14-10-5-9(11(15)6-12(10)19)7-1-3-8(4-2-7)13(16,17)18/h1-6H,19H2
InChIKeyHJPKURLIGBBEJK-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(4-chlorophenyl)-4-fluoroaniline
CID 171921721
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
2-chloro-1,3-difluoro-4-[4-(trifluoromethyl)phenyl]benzene
CID 134625909
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
4-(4-aminophenyl)-2,5-dichloroaniline
CID 154170226
3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 171906268
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 54912239
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline (CID 171921674) is 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline is Nc1cc(F)c(-c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is HJPKURLIGBBEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4N/c14-10-5-9(11(15)6-12(10)19)7-1-3-8(4-2-7)13(16,17)18/h1-6H,19H2.
What are the key properties of 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline?
2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 289.66 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 171921674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).