4-(2,2-difluoroethenyl)aniline

C8H7F2N — CID 45091677

IUPAC4-(2,2-difluoroethenyl)aniline
SMILESNc1ccc(C=C(F)F)cc1
InChIInChI=1S/C8H7F2N/c9-8(10)5-6-1-3-7(11)4-2-6/h1-5H,11H2
InChIKeyBJJOCGYLGGRTBW-UHFFFAOYSA-N
MW155.15 g/mol
LogP2.51
Rot. Bonds1

About 4-(2,2-difluoroethenyl)aniline

4-(2,2-difluoroethenyl)aniline (PubChem CID 45091677) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)aniline.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)aniline
PubChem CID45091677
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC Name4-(2,2-difluoroethenyl)aniline
SMILESNc1ccc(C=C(F)F)cc1
InChIInChI=1S/C8H7F2N/c9-8(10)5-6-1-3-7(11)4-2-6/h1-5H,11H2
InChIKeyBJJOCGYLGGRTBW-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 52.51
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-(2,2-difluoroethenyl)aniline?
The IUPAC name of 4-(2,2-difluoroethenyl)aniline (CID 45091677) is 4-(2,2-difluoroethenyl)aniline.
What is the SMILES notation for 4-(2,2-difluoroethenyl)aniline?
The canonical SMILES for 4-(2,2-difluoroethenyl)aniline is Nc1ccc(C=C(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethenyl)aniline?
The InChIKey is BJJOCGYLGGRTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c9-8(10)5-6-1-3-7(11)4-2-6/h1-5H,11H2.
What are the key properties of 4-(2,2-difluoroethenyl)aniline?
4-(2,2-difluoroethenyl)aniline has a molecular weight of 155.15 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)aniline is sourced from PubChem (CID 45091677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).