3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one

C12H10F2O2 — CID 123873676

IUPAC3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one
SMILESO=C1CCC(c2ccc(O)cc2F)=C(F)C1
InChIInChI=1S/C12H10F2O2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1,3,5,15H,2,4,6H2
InChIKeyDWPZNSHMICDTMZ-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.96
Rot. Bonds1

About 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one

3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one (PubChem CID 123873676) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one
PubChem CID123873676
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one
SMILESO=C1CCC(c2ccc(O)cc2F)=C(F)C1
InChIInChI=1S/C12H10F2O2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1,3,5,15H,2,4,6H2
InChIKeyDWPZNSHMICDTMZ-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one?
The IUPAC name of 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one (CID 123873676) is 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one.
What is the SMILES notation for 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one?
The canonical SMILES for 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one is O=C1CCC(c2ccc(O)cc2F)=C(F)C1.
What is the InChIKey of 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one?
The InChIKey is DWPZNSHMICDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1,3,5,15H,2,4,6H2.
What are the key properties of 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one?
3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one has a molecular weight of 224.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one is sourced from PubChem (CID 123873676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).