3,5-difluoro-N-prop-2-enylaniline

C9H9F2N — CID 62141812

IUPAC3,5-difluoro-N-prop-2-enylaniline
SMILESC=CCNc1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2N/c1-2-3-12-9-5-7(10)4-8(11)6-9/h2,4-6,12H,1,3H2
InChIKeyAWWOYCGCCHJXLV-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.56
Rot. Bonds3

About 3,5-difluoro-N-prop-2-enylaniline

3,5-difluoro-N-prop-2-enylaniline (PubChem CID 62141812) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 3,5-difluoro-N-prop-2-enylaniline.

Molecular Properties

Compound Name3,5-difluoro-N-prop-2-enylaniline
PubChem CID62141812
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name3,5-difluoro-N-prop-2-enylaniline
SMILESC=CCNc1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2N/c1-2-3-12-9-5-7(10)4-8(11)6-9/h2,4-6,12H,1,3H2
InChIKeyAWWOYCGCCHJXLV-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-prop-2-enylaniline?
The IUPAC name of 3,5-difluoro-N-prop-2-enylaniline (CID 62141812) is 3,5-difluoro-N-prop-2-enylaniline.
What is the SMILES notation for 3,5-difluoro-N-prop-2-enylaniline?
The canonical SMILES for 3,5-difluoro-N-prop-2-enylaniline is C=CCNc1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-prop-2-enylaniline?
The InChIKey is AWWOYCGCCHJXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c1-2-3-12-9-5-7(10)4-8(11)6-9/h2,4-6,12H,1,3H2.
What are the key properties of 3,5-difluoro-N-prop-2-enylaniline?
3,5-difluoro-N-prop-2-enylaniline has a molecular weight of 169.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-prop-2-enylaniline is sourced from PubChem (CID 62141812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).