3-chloro-2,4,6-trifluoroaniline

C6H3ClF3N — CID 71758632

IUPAC3-chloro-2,4,6-trifluoroaniline
SMILESNc1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C6H3ClF3N/c7-4-2(8)1-3(9)6(11)5(4)10/h1H,11H2
InChIKeyIZVNZHYBSJJGAI-UHFFFAOYSA-N
MW181.54 g/mol
LogP2.34
Rot. Bonds

About 3-chloro-2,4,6-trifluoroaniline

3-chloro-2,4,6-trifluoroaniline (PubChem CID 71758632) has the molecular formula C6H3ClF3N and a molecular weight of 181.54 g/mol. Its IUPAC name is 3-chloro-2,4,6-trifluoroaniline.

Molecular Properties

Compound Name3-chloro-2,4,6-trifluoroaniline
PubChem CID71758632
Molecular FormulaC6H3ClF3N
Molecular Weight181.54 g/mol
Exact Mass180.99
IUPAC Name3-chloro-2,4,6-trifluoroaniline
SMILESNc1c(F)cc(F)c(Cl)c1F
InChIInChI=1S/C6H3ClF3N/c7-4-2(8)1-3(9)6(11)5(4)10/h1H,11H2
InChIKeyIZVNZHYBSJJGAI-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.54
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-chloro-2,4,6-trifluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1,3,5-trifluoro-4-methylbenzene
CID 54150914
2-chloro-3,6-difluoro-4-methoxyaniline
CID 106701641
ethane;2,3,5,6-tetrafluoroaniline
CID 154678720
2,4-dichloro-5-fluorobenzene-1,3-diamine
CID 12029505
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
CID 117320924
2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
CID 86152824
2-chloro-1,5-difluoro-3,4-dimethylbenzene
CID 143320030
2-amino-3,6-dichloro-4-fluorophenol
CID 84666634
(4-chloro-2,3,5-trifluorophenyl)methanamine
CID 117110798
2,4-dichloro-1,5-difluoro-3-propan-2-ylbenzene
CID 155380165
2,4,6-trichloro-3-fluoroaniline
CID 155973401
methyl 6-amino-3-chloro-2,4-difluorobenzoate
CID 139378115

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4,6-trifluoroaniline?
The IUPAC name of 3-chloro-2,4,6-trifluoroaniline (CID 71758632) is 3-chloro-2,4,6-trifluoroaniline.
What is the SMILES notation for 3-chloro-2,4,6-trifluoroaniline?
The canonical SMILES for 3-chloro-2,4,6-trifluoroaniline is Nc1c(F)cc(F)c(Cl)c1F.
What is the InChIKey of 3-chloro-2,4,6-trifluoroaniline?
The InChIKey is IZVNZHYBSJJGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3N/c7-4-2(8)1-3(9)6(11)5(4)10/h1H,11H2.
What are the key properties of 3-chloro-2,4,6-trifluoroaniline?
3-chloro-2,4,6-trifluoroaniline has a molecular weight of 181.54 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4,6-trifluoroaniline is sourced from PubChem (CID 71758632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).