(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene

C12H11FO — CID 19608836

IUPAC(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene
SMILESFC1(Oc2ccccc2)C=CCC=C1
InChIInChI=1S/C12H11FO/c13-12(9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1,3-10H,2H2
InChIKeyKINRKBWCERQKIE-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.25
Rot. Bonds2

About (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene

(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene (PubChem CID 19608836) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene.

Molecular Properties

Compound Name(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene
PubChem CID19608836
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene
SMILESFC1(Oc2ccccc2)C=CCC=C1
InChIInChI=1S/C12H11FO/c13-12(9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1,3-10H,2H2
InChIKeyKINRKBWCERQKIE-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene?
The IUPAC name of (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene (CID 19608836) is (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene.
What is the SMILES notation for (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene?
The canonical SMILES for (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene is FC1(Oc2ccccc2)C=CCC=C1.
What is the InChIKey of (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene?
The InChIKey is KINRKBWCERQKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO/c13-12(9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1,3-10H,2H2.
What are the key properties of (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene?
(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene has a molecular weight of 190.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene is sourced from PubChem (CID 19608836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).