3-fluoro-2,5-dimethylaniline

C8H10FN — CID 55289526

IUPAC3-fluoro-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(F)c1
InChIInChI=1S/C8H10FN/c1-5-3-7(9)6(2)8(10)4-5/h3-4H,10H2,1-2H3
InChIKeyDAUDNMQURSQPKF-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.02
Rot. Bonds

About 3-fluoro-2,5-dimethylaniline

3-fluoro-2,5-dimethylaniline (PubChem CID 55289526) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethylaniline.

Molecular Properties

Compound Name3-fluoro-2,5-dimethylaniline
PubChem CID55289526
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name3-fluoro-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(F)c1
InChIInChI=1S/C8H10FN/c1-5-3-7(9)6(2)8(10)4-5/h3-4H,10H2,1-2H3
InChIKeyDAUDNMQURSQPKF-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.02
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 3-fluoro-2,5-dimethylaniline?
The IUPAC name of 3-fluoro-2,5-dimethylaniline (CID 55289526) is 3-fluoro-2,5-dimethylaniline.
What is the SMILES notation for 3-fluoro-2,5-dimethylaniline?
The canonical SMILES for 3-fluoro-2,5-dimethylaniline is Cc1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-fluoro-2,5-dimethylaniline?
The InChIKey is DAUDNMQURSQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-5-3-7(9)6(2)8(10)4-5/h3-4H,10H2,1-2H3.
What are the key properties of 3-fluoro-2,5-dimethylaniline?
3-fluoro-2,5-dimethylaniline has a molecular weight of 139.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethylaniline is sourced from PubChem (CID 55289526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).