3-(4-fluoroanilino)cyclohex-2-en-1-one

C12H12FNO — CID 2748639

IUPAC3-(4-fluoroanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc(F)cc2)CCC1
InChIInChI=1S/C12H12FNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2
InChIKeyCVWCZFGLTFWSEK-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.87
Rot. Bonds2

About 3-(4-fluoroanilino)cyclohex-2-en-1-one

3-(4-fluoroanilino)cyclohex-2-en-1-one (PubChem CID 2748639) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-(4-fluoroanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)cyclohex-2-en-1-one
PubChem CID2748639
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name3-(4-fluoroanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc(F)cc2)CCC1
InChIInChI=1S/C12H12FNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2
InChIKeyCVWCZFGLTFWSEK-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-fluoroanilino)cyclohex-2-en-1-one (CID 2748639) is 3-(4-fluoroanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-fluoroanilino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-fluoroanilino)cyclohex-2-en-1-one is O=C1C=C(Nc2ccc(F)cc2)CCC1.
What is the InChIKey of 3-(4-fluoroanilino)cyclohex-2-en-1-one?
The InChIKey is CVWCZFGLTFWSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2.
What are the key properties of 3-(4-fluoroanilino)cyclohex-2-en-1-one?
3-(4-fluoroanilino)cyclohex-2-en-1-one has a molecular weight of 205.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 2748639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).