2-chloro-3,5-bis(trifluoromethyl)aniline

C8H4ClF6N — CID 2757429

IUPAC2-chloro-3,5-bis(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2
InChIKeyJKUFETFGEJPHEM-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.96
Rot. Bonds

About 2-chloro-3,5-bis(trifluoromethyl)aniline

2-chloro-3,5-bis(trifluoromethyl)aniline (PubChem CID 2757429) has the molecular formula C8H4ClF6N and a molecular weight of 263.57 g/mol. Its IUPAC name is 2-chloro-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-3,5-bis(trifluoromethyl)aniline
PubChem CID2757429
Molecular FormulaC8H4ClF6N
Molecular Weight263.57 g/mol
Exact Mass262.99
IUPAC Name2-chloro-3,5-bis(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2
InChIKeyJKUFETFGEJPHEM-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 53.96
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

3-amino-4-chloro-5-(trifluoromethyl)phenol
CID 119004792
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
2-chloro-1-iodo-3,5-bis(trifluoromethyl)benzene
CID 44891192
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)benzene
CID 71418982
2-amino-4,6-bis(trifluoromethyl)benzoate
CID 86336027
2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655894
N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine
CID 150390045
2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
2-(bromomethyl)-3-chloro-5-(trifluoromethyl)aniline
CID 119017440
S-[2,4,6-tris(trifluoromethyl)phenyl]thiohydroxylamine
CID 129295053
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-3,5-bis(trifluoromethyl)aniline (CID 2757429) is 2-chloro-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-3,5-bis(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-3,5-bis(trifluoromethyl)aniline?
The InChIKey is JKUFETFGEJPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2.
What are the key properties of 2-chloro-3,5-bis(trifluoromethyl)aniline?
2-chloro-3,5-bis(trifluoromethyl)aniline has a molecular weight of 263.57 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 2757429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).