2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline

C7H4Cl2F3N — CID 77134457

IUPAC2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline
SMILESNc1c(Cl)c(F)c(CF)c(F)c1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-3-5(11)2(1-10)6(12)4(9)7(3)13/h1,13H2
InChIKeyGHHIPKQNPYEHFW-UHFFFAOYSA-N
MW230.02 g/mol
LogP3.32
Rot. Bonds1

About 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline

2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline (PubChem CID 77134457) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline
PubChem CID77134457
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline
SMILESNc1c(Cl)c(F)c(CF)c(F)c1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-3-5(11)2(1-10)6(12)4(9)7(3)13/h1,13H2
InChIKeyGHHIPKQNPYEHFW-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 53.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline?
The IUPAC name of 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline (CID 77134457) is 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline.
What is the SMILES notation for 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline?
The canonical SMILES for 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline is Nc1c(Cl)c(F)c(CF)c(F)c1Cl.
What is the InChIKey of 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline?
The InChIKey is GHHIPKQNPYEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-3-5(11)2(1-10)6(12)4(9)7(3)13/h1,13H2.
What are the key properties of 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline?
2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline has a molecular weight of 230.02 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3,5-difluoro-4-(fluoromethyl)aniline is sourced from PubChem (CID 77134457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).