2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline

C9H9Cl2F2N — CID 83079484

IUPAC2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H9Cl2F2N/c10-7-4-6(13)5-8(11)9(7)14-3-1-2-12/h4-5,14H,1-3H2
InChIKeyFHBREIFCUZPVFI-UHFFFAOYSA-N
MW240.08 g/mol
LogP3.90
Rot. Bonds4

About 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline

2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline (PubChem CID 83079484) has the molecular formula C9H9Cl2F2N and a molecular weight of 240.08 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
PubChem CID83079484
Molecular FormulaC9H9Cl2F2N
Molecular Weight240.08 g/mol
Exact Mass239.01
IUPAC Name2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H9Cl2F2N/c10-7-4-6(13)5-8(11)9(7)14-3-1-2-12/h4-5,14H,1-3H2
InChIKeyFHBREIFCUZPVFI-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline 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-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
4-(2-chloro-4,6-difluoroanilino)butan-1-ol
CID 83081105
2,4,6-trichloro-N-(2-fluoroethyl)aniline
CID 80694020
6-(2,6-dichloro-4-fluoroanilino)-2,2-dimethylhexanenitrile
CID 106709544
2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83077807
2,3,5,6-tetrafluoro-N-(3-fluoropropyl)aniline
CID 107644218
2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103179366
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850
2,6-dichloro-4-fluoro-N-[3-(oxolan-2-yl)propyl]aniline
CID 83079283
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline (CID 83079484) is 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline is FCCCNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline?
The InChIKey is FHBREIFCUZPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F2N/c10-7-4-6(13)5-8(11)9(7)14-3-1-2-12/h4-5,14H,1-3H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline?
2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline has a molecular weight of 240.08 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 83079484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).