2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol

C12H13FO — CID 89061877

IUPAC2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(C2=CCCC=C2)C=C(F)CC1
InChIInChI=1S/C12H13FO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h2,4-5,8,14H,1,3,6-7H2
InChIKeyPZHDXLNKAYJJHW-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.72
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol

2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol (PubChem CID 89061877) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol
PubChem CID89061877
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(C2=CCCC=C2)C=C(F)CC1
InChIInChI=1S/C12H13FO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h2,4-5,8,14H,1,3,6-7H2
InChIKeyPZHDXLNKAYJJHW-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol (CID 89061877) is 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol is OC1=C(C2=CCCC=C2)C=C(F)CC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol?
The InChIKey is PZHDXLNKAYJJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h2,4-5,8,14H,1,3,6-7H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol?
2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol has a molecular weight of 192.23 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-fluorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89061877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).