(4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite

C6H6ClFO — CID 144769831

IUPAC(4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite
SMILESFOC1=CC=C(Cl)CC1
InChIInChI=1S/C6H6ClFO/c7-5-1-3-6(9-8)4-2-5/h1,3H,2,4H2
InChIKeyMENSGDJAGYISCZ-UHFFFAOYSA-N
MW148.56 g/mol
LogP2.69
Rot. Bonds1

About (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite

(4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite (PubChem CID 144769831) has the molecular formula C6H6ClFO and a molecular weight of 148.56 g/mol. Its IUPAC name is (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite.

Molecular Properties

Compound Name(4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite
PubChem CID144769831
Molecular FormulaC6H6ClFO
Molecular Weight148.56 g/mol
Exact Mass148.01
IUPAC Name(4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite
SMILESFOC1=CC=C(Cl)CC1
InChIInChI=1S/C6H6ClFO/c7-5-1-3-6(9-8)4-2-5/h1,3H,2,4H2
InChIKeyMENSGDJAGYISCZ-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.56
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite?
The IUPAC name of (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite (CID 144769831) is (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite.
What is the SMILES notation for (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite?
The canonical SMILES for (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite is FOC1=CC=C(Cl)CC1.
What is the InChIKey of (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite?
The InChIKey is MENSGDJAGYISCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFO/c7-5-1-3-6(9-8)4-2-5/h1,3H,2,4H2.
What are the key properties of (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite?
(4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite has a molecular weight of 148.56 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorocyclohexa-1,3-dien-1-yl) hypofluorite is sourced from PubChem (CID 144769831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).