5-(3,4-difluorophenyl)-2-ethylaniline

C14H13F2N — CID 82082698

IUPAC5-(3,4-difluorophenyl)-2-ethylaniline
SMILESCCc1ccc(-c2ccc(F)c(F)c2)cc1N
InChIInChI=1S/C14H13F2N/c1-2-9-3-4-11(8-14(9)17)10-5-6-12(15)13(16)7-10/h3-8H,2,17H2,1H3
InChIKeyWZJODHMHPJIYGO-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.78
Rot. Bonds2

About 5-(3,4-difluorophenyl)-2-ethylaniline

5-(3,4-difluorophenyl)-2-ethylaniline (PubChem CID 82082698) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-ethylaniline.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-ethylaniline
PubChem CID82082698
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name5-(3,4-difluorophenyl)-2-ethylaniline
SMILESCCc1ccc(-c2ccc(F)c(F)c2)cc1N
InChIInChI=1S/C14H13F2N/c1-2-9-3-4-11(8-14(9)17)10-5-6-12(15)13(16)7-10/h3-8H,2,17H2,1H3
InChIKeyWZJODHMHPJIYGO-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.78
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 5-(3,4-difluorophenyl)-2-ethylaniline?
The IUPAC name of 5-(3,4-difluorophenyl)-2-ethylaniline (CID 82082698) is 5-(3,4-difluorophenyl)-2-ethylaniline.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-ethylaniline?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-ethylaniline is CCc1ccc(-c2ccc(F)c(F)c2)cc1N.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-ethylaniline?
The InChIKey is WZJODHMHPJIYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-2-9-3-4-11(8-14(9)17)10-5-6-12(15)13(16)7-10/h3-8H,2,17H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-2-ethylaniline?
5-(3,4-difluorophenyl)-2-ethylaniline has a molecular weight of 233.26 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-ethylaniline is sourced from PubChem (CID 82082698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).