4-fluoro-2,3,5,6-tetramethylaniline

C10H14FN — CID 3728185

IUPAC4-fluoro-2,3,5,6-tetramethylaniline
SMILESCc1c(C)c(F)c(C)c(C)c1N
InChIInChI=1S/C10H14FN/c1-5-7(3)10(12)8(4)6(2)9(5)11/h12H2,1-4H3
InChIKeyOTZXMVFEAZECDY-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.64
Rot. Bonds

About 4-fluoro-2,3,5,6-tetramethylaniline

4-fluoro-2,3,5,6-tetramethylaniline (PubChem CID 3728185) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-2,3,5,6-tetramethylaniline.

Molecular Properties

Compound Name4-fluoro-2,3,5,6-tetramethylaniline
PubChem CID3728185
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-2,3,5,6-tetramethylaniline
SMILESCc1c(C)c(F)c(C)c(C)c1N
InChIInChI=1S/C10H14FN/c1-5-7(3)10(12)8(4)6(2)9(5)11/h12H2,1-4H3
InChIKeyOTZXMVFEAZECDY-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3,5,6-tetramethylaniline?
The IUPAC name of 4-fluoro-2,3,5,6-tetramethylaniline (CID 3728185) is 4-fluoro-2,3,5,6-tetramethylaniline.
What is the SMILES notation for 4-fluoro-2,3,5,6-tetramethylaniline?
The canonical SMILES for 4-fluoro-2,3,5,6-tetramethylaniline is Cc1c(C)c(F)c(C)c(C)c1N.
What is the InChIKey of 4-fluoro-2,3,5,6-tetramethylaniline?
The InChIKey is OTZXMVFEAZECDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-7(3)10(12)8(4)6(2)9(5)11/h12H2,1-4H3.
What are the key properties of 4-fluoro-2,3,5,6-tetramethylaniline?
4-fluoro-2,3,5,6-tetramethylaniline has a molecular weight of 167.23 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3,5,6-tetramethylaniline is sourced from PubChem (CID 3728185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).