2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline

C14H9F6N — CID 118835632

IUPAC2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline
SMILESCN(C)c1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1F
InChIInChI=1S/C14H9F6N/c1-21(2)8-5-6(3-4-7(8)15)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
InChIKeyQOCUJZNMHCWOMT-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.25
Rot. Bonds2

About 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline

2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline (PubChem CID 118835632) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline
PubChem CID118835632
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline
SMILESCN(C)c1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1F
InChIInChI=1S/C14H9F6N/c1-21(2)8-5-6(3-4-7(8)15)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
InChIKeyQOCUJZNMHCWOMT-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline (CID 118835632) is 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline is CN(C)c1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline?
The InChIKey is QOCUJZNMHCWOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c1-21(2)8-5-6(3-4-7(8)15)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline?
2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline has a molecular weight of 305.22 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline is sourced from PubChem (CID 118835632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).