2,3-difluoro-N,N,4,5,6-pentamethylaniline

C11H15F2N — CID 123897620

IUPAC2,3-difluoro-N,N,4,5,6-pentamethylaniline
SMILESCc1c(C)c(F)c(F)c(N(C)C)c1C
InChIInChI=1S/C11H15F2N/c1-6-7(2)9(12)10(13)11(8(6)3)14(4)5/h1-5H3
InChIKeyXZUFPYPJMWTAMK-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.96
Rot. Bonds1

About 2,3-difluoro-N,N,4,5,6-pentamethylaniline

2,3-difluoro-N,N,4,5,6-pentamethylaniline (PubChem CID 123897620) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2,3-difluoro-N,N,4,5,6-pentamethylaniline.

Molecular Properties

Compound Name2,3-difluoro-N,N,4,5,6-pentamethylaniline
PubChem CID123897620
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2,3-difluoro-N,N,4,5,6-pentamethylaniline
SMILESCc1c(C)c(F)c(F)c(N(C)C)c1C
InChIInChI=1S/C11H15F2N/c1-6-7(2)9(12)10(13)11(8(6)3)14(4)5/h1-5H3
InChIKeyXZUFPYPJMWTAMK-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N,N,4,5,6-pentamethylaniline?
The IUPAC name of 2,3-difluoro-N,N,4,5,6-pentamethylaniline (CID 123897620) is 2,3-difluoro-N,N,4,5,6-pentamethylaniline.
What is the SMILES notation for 2,3-difluoro-N,N,4,5,6-pentamethylaniline?
The canonical SMILES for 2,3-difluoro-N,N,4,5,6-pentamethylaniline is Cc1c(C)c(F)c(F)c(N(C)C)c1C.
What is the InChIKey of 2,3-difluoro-N,N,4,5,6-pentamethylaniline?
The InChIKey is XZUFPYPJMWTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-6-7(2)9(12)10(13)11(8(6)3)14(4)5/h1-5H3.
What are the key properties of 2,3-difluoro-N,N,4,5,6-pentamethylaniline?
2,3-difluoro-N,N,4,5,6-pentamethylaniline has a molecular weight of 199.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N,N,4,5,6-pentamethylaniline is sourced from PubChem (CID 123897620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).