2,3-dichloro-6-(trifluoromethyl)aniline

C7H4Cl2F3N — CID 21257594

IUPAC2,3-dichloro-6-(trifluoromethyl)aniline
SMILESNc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-4-2-1-3(7(10,11)12)6(13)5(4)9/h1-2H,13H2
InChIKeyNESDKBLXQJESKV-UHFFFAOYSA-N
MW230.02 g/mol
LogP3.59
Rot. Bonds

About 2,3-dichloro-6-(trifluoromethyl)aniline

2,3-dichloro-6-(trifluoromethyl)aniline (PubChem CID 21257594) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is 2,3-dichloro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-6-(trifluoromethyl)aniline
PubChem CID21257594
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name2,3-dichloro-6-(trifluoromethyl)aniline
SMILESNc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-4-2-1-3(7(10,11)12)6(13)5(4)9/h1-2H,13H2
InChIKeyNESDKBLXQJESKV-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 53.59
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-(bromomethyl)-3-chloro-6-(trifluoromethyl)aniline
CID 118998697
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
3-amino-2-chloro-4-(trifluoromethyl)benzoic acid
CID 84701475
[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine
CID 123938398
2-chloro-6-fluoro-3-(trifluoromethyl)aniline
CID 54099645
[2-amino-3-chloro-6-(trifluoromethyl)phenyl]methanol
CID 119006450
6-bromo-2-chloro-3-(trifluoromethyl)aniline
CID 129201873
1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
CID 122548871
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
2,4-dichloro-3-(dichloromethyl)-6-(trifluoromethyl)aniline
CID 150039799
3-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 130849089
1,2-dichloro-3-nitro-4-(trifluoromethyl)benzene
CID 15103062

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-(trifluoromethyl)aniline?
The IUPAC name of 2,3-dichloro-6-(trifluoromethyl)aniline (CID 21257594) is 2,3-dichloro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2,3-dichloro-6-(trifluoromethyl)aniline?
The canonical SMILES for 2,3-dichloro-6-(trifluoromethyl)aniline is Nc1c(C(F)(F)F)ccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-6-(trifluoromethyl)aniline?
The InChIKey is NESDKBLXQJESKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-4-2-1-3(7(10,11)12)6(13)5(4)9/h1-2H,13H2.
What are the key properties of 2,3-dichloro-6-(trifluoromethyl)aniline?
2,3-dichloro-6-(trifluoromethyl)aniline has a molecular weight of 230.02 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 21257594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).