3-(2,3-difluoroanilino)cyclohex-2-en-1-one

C12H11F2NO — CID 3073067

IUPAC3-(2,3-difluoroanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2cccc(F)c2F)CCC1
InChIInChI=1S/C12H11F2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2
InChIKeyJFNSFSMATZTYAP-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.01
Rot. Bonds2

About 3-(2,3-difluoroanilino)cyclohex-2-en-1-one

3-(2,3-difluoroanilino)cyclohex-2-en-1-one (PubChem CID 3073067) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 3-(2,3-difluoroanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-difluoroanilino)cyclohex-2-en-1-one
PubChem CID3073067
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name3-(2,3-difluoroanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2cccc(F)c2F)CCC1
InChIInChI=1S/C12H11F2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2
InChIKeyJFNSFSMATZTYAP-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoroanilino)cyclohex-2-en-1-one?
The IUPAC name of 3-(2,3-difluoroanilino)cyclohex-2-en-1-one (CID 3073067) is 3-(2,3-difluoroanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,3-difluoroanilino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2,3-difluoroanilino)cyclohex-2-en-1-one is O=C1C=C(Nc2cccc(F)c2F)CCC1.
What is the InChIKey of 3-(2,3-difluoroanilino)cyclohex-2-en-1-one?
The InChIKey is JFNSFSMATZTYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2.
What are the key properties of 3-(2,3-difluoroanilino)cyclohex-2-en-1-one?
3-(2,3-difluoroanilino)cyclohex-2-en-1-one has a molecular weight of 223.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoroanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 3073067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).