2-chloro-4,6-bis(trifluoromethyl)aniline

C8H4ClF6N — CID 21396780

IUPAC2-chloro-4,6-bis(trifluoromethyl)aniline
SMILESNc1c(Cl)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4ClF6N/c9-5-2-3(7(10,11)12)1-4(6(5)16)8(13,14)15/h1-2H,16H2
InChIKeyVAZCQNHCQIXQDJ-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.96
Rot. Bonds

About 2-chloro-4,6-bis(trifluoromethyl)aniline

2-chloro-4,6-bis(trifluoromethyl)aniline (PubChem CID 21396780) has the molecular formula C8H4ClF6N and a molecular weight of 263.57 g/mol. Its IUPAC name is 2-chloro-4,6-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-bis(trifluoromethyl)aniline
PubChem CID21396780
Molecular FormulaC8H4ClF6N
Molecular Weight263.57 g/mol
Exact Mass262.99
IUPAC Name2-chloro-4,6-bis(trifluoromethyl)aniline
SMILESNc1c(Cl)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H4ClF6N/c9-5-2-3(7(10,11)12)1-4(6(5)16)8(13,14)15/h1-2H,16H2
InChIKeyVAZCQNHCQIXQDJ-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

2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502
[[2-chloro-4,6-bis(trifluoromethyl)phenyl]methylideneamino]urea
CID 168532972
2-chloro-4-(2-chlorophenyl)-6-(trifluoromethyl)aniline
CID 171916746
2-chloro-4-(3-chlorophenyl)-6-(trifluoromethyl)aniline
CID 171916753
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
2-chloro-6-fluoro-4-(trifluoromethyl)aniline;2-fluoro-4-(trifluoromethyl)aniline;methane
CID 159370477
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone
CID 13355521
(2R)-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 174577868
2-azido-4,6-bis(trifluoromethyl)aniline
CID 23461157
3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
CID 174741615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-4,6-bis(trifluoromethyl)aniline (CID 21396780) is 2-chloro-4,6-bis(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-4,6-bis(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-4,6-bis(trifluoromethyl)aniline is Nc1c(Cl)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-4,6-bis(trifluoromethyl)aniline?
The InChIKey is VAZCQNHCQIXQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6N/c9-5-2-3(7(10,11)12)1-4(6(5)16)8(13,14)15/h1-2H,16H2.
What are the key properties of 2-chloro-4,6-bis(trifluoromethyl)aniline?
2-chloro-4,6-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-4,6-bis(trifluoromethyl)aniline is sourced from PubChem (CID 21396780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).